data_BiPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   5.18
_cell_angle_alpha   111.11
_cell_angle_beta   111.11
_cell_angle_gamma   35.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPtCl2
_chemical_formula_sum   'Bi1 Pt1 Cl2'
_cell_volume   108.84
_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
  Bi  Bi0  1  0.48  0.0  0.61  1.0
  Pt  Pt3  1  0.1  0.0  0.6  1.0
  Cl  Cl1  1  0.48  0.0  0.58  1.0
  Cl  Cl2  1  0.74  0.0  0.2  1.0

data_BiPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.18
_cell_length_c   6.24
_cell_angle_alpha   111.11
_cell_angle_beta   107.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPtCl2
_chemical_formula_sum   'Bi1 Pt1 Cl2'
_cell_volume   108.84
_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
  Bi  Bi0  1  0.0  0.61  0.48  1.0
  Pt  Pt1  1  0.0  0.6  0.1  1.0
  Cl  Cl2  1  0.0  0.2  0.74  1.0
  Cl  Cl3  1  0.0  0.58  0.48  1.0

Bi Pt Cl Cl
Bi Pt Cl Cl 0 2 o o o 0 1 o o o 0 3 o o + 0 3 o o o 1 3 - o o 1 2 o o o 2 3 o o + 2 3 o o o 