data_Pt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2Br
_chemical_formula_sum   'Pt4 Br2'
_cell_volume   107.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Pt2  1  0.0  0.0  0.1  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Pt  Pt4  1  0.23  0.29  0.55  1.0
  Pt  Pt5  1  0.0  0.58  0.65  1.0
  Br  Br0  1  0.23  0.29  0.65  1.0
  Br  Br1  1  0.0  0.58  0.55  1.0

data_Pt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2Br
_chemical_formula_sum   'Pt4 Br2'
_cell_volume   107.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Pt0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.1  1.0
  Pt  Pt2  1  0.0  0.58  0.65  1.0
  Pt  Pt3  1  0.23  0.29  0.55  1.0
  Br  Br4  1  0.0  0.58  0.55  1.0
  Br  Br5  1  0.23  0.29  0.65  1.0

Pt Pt Pt Pt Br Br