data_image0
_chemical_formula_structural       PtBr2
_chemical_formula_sum              "Pt1 Br2"
_cell_length_a       3.953886853716627
_cell_length_b       3.953886853716628
_cell_length_c       17.700769639568364
_cell_angle_alpha    90.0
_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
  Pt  Pt1       1.0  7.562999464669091e-21  1.0603639970689143e-41  0.5000000000121926  1.0000
  Br  Br1       1.0  0.6666666675095364  0.33333333342990906  0.5797191110301477  1.0000
  Br  Br2       1.0  0.33333333342990923  0.6666666668598181  0.4202808889942375  1.0000