# AFLOW.org Repositories
# Ba1F4Ni1   [ORCC,ORCC,oS24] (STD_PRIM do  [ORCC,ORCC,oS24] (STD_PRIM doi:10.1016/j.commatsci.2010.05.010)
data_Ba1F4Ni1
_pd_phase_name Ba1F4Ni1
_cell_length_a  7.7115040020
_cell_length_b  7.7115040020
_cell_length_c  5.8951033816
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  148.3246246527
_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 0.8525771602 0.1474228398 0.9590101982  Biso 1.0 Ba
Ba2 1.0000000000 0.1474228398 0.8525771602 0.4590101982  Biso 1.0 Ba
F3 1.0000000000 0.5274295368 0.4725704632 0.3187295002  Biso 1.0 F
F4 1.0000000000 0.4725704632 0.5274295368 0.8187295002  Biso 1.0 F
F5 1.0000000000 0.6972773776 0.3027226224 0.1944708709  Biso 1.0 F
F6 1.0000000000 0.3027226224 0.6972773776 0.6944708709  Biso 1.0 F
F7 1.0000000000 0.6652084997 0.3347915003 0.7285728410  Biso 1.0 F
F8 1.0000000000 0.3347915003 0.6652084997 0.2285728410  Biso 1.0 F
F9 1.0000000000 0.0800715613 0.9199284387 0.0092648725  Biso 1.0 F
F10 1.0000000000 0.9199284387 0.0800715613 0.5092648725  Biso 1.0 F
Ni11 1.0000000000 0.5866147177 0.4133852823 0.0000000000  Biso 1.0 Ni
Ni12 1.0000000000 0.4133852823 0.5866147177 0.4996517171  Biso 1.0 Ni
