data_CdPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.96
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPt2Br
_chemical_formula_sum   'Cd1 Pt2 Br1'
_cell_volume   76.27
_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
  Cd  Cd1  1  0.0  0.0  0.21  1.0
  Pt  Pt2  1  0.5  0.98  0.6  1.0
  Pt  Pt3  1  0.5  0.98  0.82  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_CdPt2Br
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.96
_cell_length_b   3.0
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdPt2Br
_chemical_formula_sum   'Cd1 Pt2 Br1'
_cell_volume   76.27
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cd  Cd0  1  0.0  0.0  0.21  1.0
  Pt  Pt1  1  0.98  0.5  0.6  1.0
  Pt  Pt2  1  0.98  0.5  0.82  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Cd Pt Pt Br