# AFLOW.org Repositories
# Ag1Fe1O6Se2   [ORC,ORC,oP40] (STD_PRIM d  [ORC,ORC,oP40] (STD_CONV doi:10.1016/j.commatsci.2010.05.010)
data_Ag1Fe1O6Se2
_pd_phase_name Ag1Fe1O6Se2
_cell_length_a  5.3489999292
_cell_length_b  7.8069574889
_cell_length_c  14.1954068399
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P1'
_symmetry_Int_Tables_Number  1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1  x,y,z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_thermal_displace_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
Ag1 1.0000000000 0.8703485291 0.3163582558 0.3794398117  Biso 1.0 Ag
Ag2 1.0000000000 0.1296514709 0.8163582558 0.6205601883  Biso 1.0 Ag
Ag3 1.0000000000 0.6296514709 0.3163582558 0.8794398117  Biso 1.0 Ag
Ag4 1.0000000000 0.3703485291 0.8163582558 0.1205601883  Biso 1.0 Ag
Fe5 1.0000000000 0.7088047311 0.3055944252 0.1260340109  Biso 1.0 Fe
Fe6 1.0000000000 0.2911952689 0.8055944252 0.8739659891  Biso 1.0 Fe
Fe7 1.0000000000 0.7911952689 0.3055944252 0.6260340109  Biso 1.0 Fe
Fe8 1.0000000000 0.2088047311 0.8055944252 0.3739659891  Biso 1.0 Fe
O9 1.0000000000 0.7595771854 0.0506247200 0.5879339961  Biso 1.0 O
O10 1.0000000000 0.2404228146 0.5506247200 0.4120660039  Biso 1.0 O
O11 1.0000000000 0.7404228146 0.0506247200 0.0879339961  Biso 1.0 O
O12 1.0000000000 0.2595771854 0.5506247200 0.9120660039  Biso 1.0 O
O13 1.0000000000 0.4225677863 0.8718646374 0.4884900557  Biso 1.0 O
O14 1.0000000000 0.5774322137 0.3718646374 0.5115099443  Biso 1.0 O
O15 1.0000000000 0.0774322137 0.8718646374 0.9884900557  Biso 1.0 O
O16 1.0000000000 0.9225677863 0.3718646374 0.0115099443  Biso 1.0 O
O17 1.0000000000 0.9125758743 0.8203369436 0.4637353685  Biso 1.0 O
O18 1.0000000000 0.0874241257 0.3203369436 0.5362646315  Biso 1.0 O
O19 1.0000000000 0.5874241257 0.8203369436 0.9637353685  Biso 1.0 O
O20 1.0000000000 0.4125758743 0.3203369436 0.0362646315  Biso 1.0 O
O21 1.0000000000 0.0018761550 0.7370731590 0.2611852871  Biso 1.0 O
O22 1.0000000000 0.9981238450 0.2370731590 0.7388147129  Biso 1.0 O
O23 1.0000000000 0.4981238450 0.7370731590 0.7611852871  Biso 1.0 O
O24 1.0000000000 0.5018761550 0.2370731590 0.2388147129  Biso 1.0 O
O25 1.0000000000 0.5103381970 0.7940360478 0.2852454451  Biso 1.0 O
O26 1.0000000000 0.4896618030 0.2940360478 0.7147545549  Biso 1.0 O
O27 1.0000000000 0.9896618030 0.7940360478 0.7852454451  Biso 1.0 O
O28 1.0000000000 0.0103381970 0.2940360478 0.2147545549  Biso 1.0 O
O29 1.0000000000 0.6668484537 0.5601922033 0.1631176407  Biso 1.0 O
O30 1.0000000000 0.3331515463 0.0601922033 0.8368823593  Biso 1.0 O
O31 1.0000000000 0.8331515463 0.5601922033 0.6631176407  Biso 1.0 O
O32 1.0000000000 0.1668484537 0.0601922033 0.3368823593  Biso 1.0 O
Se33 1.0000000000 0.6974233760 0.9870089398 0.4735962550  Biso 1.0 Se
Se34 1.0000000000 0.3025766240 0.4870089398 0.5264037450  Biso 1.0 Se
Se35 1.0000000000 0.8025766240 0.9870089398 0.9735962550  Biso 1.0 Se
Se36 1.0000000000 0.1974233760 0.4870089398 0.0264037450  Biso 1.0 Se
Se37 1.0000000000 0.7265641096 0.6265106681 0.2771337800  Biso 1.0 Se
Se38 1.0000000000 0.2734358904 0.1265106681 0.7228662200  Biso 1.0 Se
Se39 1.0000000000 0.7734358904 0.6265106681 0.7771337800  Biso 1.0 Se
Se40 1.0000000000 0.2265641096 0.1265106681 0.2228662200  Biso 1.0 Se
