data_image0
_chemical_formula_structural       BaF2
_chemical_formula_sum              "Ba1 F2"
_cell_length_a       4.332646895082958
_cell_length_b       4.332646895082958
_cell_length_c       4.332646895082958
_cell_angle_alpha    120.00000000000001
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Ba  Ba1       1.0  0.0  0.0  0.0  1.0000
  F   F1        1.0  0.7499990208  0.4999993472  0.2499996736  1.0000
  F   F2        1.0  0.24999967360000006  0.4999993472000001  0.7499990208  1.0000