data_ZnPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.56
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   96.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPt2Br
_chemical_formula_sum   'Zn1 Pt2 Br1'
_cell_volume   91.44
_cell_formula_units_Z   1
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
  Zn  Zn3  1  0.13  0.0  0.75  1.0
  Pt  Pt1  1  0.67  0.0  0.03  1.0
  Pt  Pt2  1  0.85  0.78  0.55  1.0
  Br  Br0  1  0.97  0.78  0.02  1.0

data_ZnPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.7
_cell_length_c   6.98
_cell_angle_alpha   96.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPt2Br
_chemical_formula_sum   'Zn1 Pt2 Br1'
_cell_volume   91.44
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.0  0.87  0.25  1.0
  Pt  Pt1  1  0.0  0.33  0.97  1.0
  Pt  Pt2  1  0.22  0.15  0.45  1.0
  Br  Br3  1  0.22  0.03  0.98  1.0

Zn Pt Pt Br