# AFLOW.org Repositories
# Ba1F4Ni1   [ORCC,ORCC,oS24] (STD_PRIM do  [ORC,ORC,oP24] (STD_CONV doi:10.1016/j.commatsci.2010.05.010)
data_Ba1F4Ni1
_pd_phase_name Ba1F4Ni1
_cell_length_a  4.2091410809
_cell_length_b  14.8375303623
_cell_length_c  5.8951033816
_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
Ba1 1.0000000000 0.0000000000 0.1474228398 0.9590101982  Biso 1.0 Ba
Ba2 1.0000000000 0.5000000000 0.6474228398 0.9590101982  Biso 1.0 Ba
Ba3 1.0000000000 0.0000000000 0.8525771602 0.4590101982  Biso 1.0 Ba
Ba4 1.0000000000 0.5000000000 0.3525771602 0.4590101982  Biso 1.0 Ba
F5 1.0000000000 0.0000000000 0.4725704632 0.3187295002  Biso 1.0 F
F6 1.0000000000 0.5000000000 0.9725704632 0.3187295002  Biso 1.0 F
F7 1.0000000000 0.0000000000 0.5274295368 0.8187295002  Biso 1.0 F
F8 1.0000000000 0.5000000000 0.0274295368 0.8187295002  Biso 1.0 F
F9 1.0000000000 0.0000000000 0.3027226224 0.1944708709  Biso 1.0 F
F10 1.0000000000 0.5000000000 0.8027226224 0.1944708709  Biso 1.0 F
F11 1.0000000000 0.0000000000 0.6972773776 0.6944708709  Biso 1.0 F
F12 1.0000000000 0.5000000000 0.1972773776 0.6944708709  Biso 1.0 F
F13 1.0000000000 0.0000000000 0.3347915003 0.7285728410  Biso 1.0 F
F14 1.0000000000 0.5000000000 0.8347915003 0.7285728410  Biso 1.0 F
F15 1.0000000000 0.0000000000 0.6652084997 0.2285728410  Biso 1.0 F
F16 1.0000000000 0.5000000000 0.1652084997 0.2285728410  Biso 1.0 F
F17 1.0000000000 0.0000000000 0.9199284387 0.0092648725  Biso 1.0 F
F18 1.0000000000 0.5000000000 0.4199284387 0.0092648725  Biso 1.0 F
F19 1.0000000000 0.0000000000 0.0800715613 0.5092648725  Biso 1.0 F
F20 1.0000000000 0.5000000000 0.5800715613 0.5092648725  Biso 1.0 F
Ni21 1.0000000000 0.0000000000 0.4133852823 0.0000000000  Biso 1.0 Ni
Ni22 1.0000000000 0.5000000000 0.9133852823 0.0000000000  Biso 1.0 Ni
Ni23 1.0000000000 0.0000000000 0.5866147177 0.4996517171  Biso 1.0 Ni
Ni24 1.0000000000 0.5000000000 0.0866147177 0.4996517171  Biso 1.0 Ni
