data_ZnPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   3.04
_cell_angle_alpha   106.18
_cell_angle_beta   106.18
_cell_angle_gamma   116.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPt2Cl
_chemical_formula_sum   'Zn1 Pt2 Cl1'
_cell_volume   65.58
_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  0.8  0.0  0.0  1.0
  Pt  Pt1  1  0.4  0.28  0.0  1.0
  Pt  Pt2  1  0.4  0.72  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ZnPt2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.73
_cell_length_c   5.35
_cell_angle_alpha   116.03
_cell_angle_beta   106.18
_cell_angle_gamma   90.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPt2Cl
_chemical_formula_sum   'Zn1 Pt2 Cl1'
_cell_volume   65.58
_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  0.0  0.8  1.0
  Pt  Pt1  1  0.28  0.28  0.68  1.0
  Pt  Pt2  1  0.72  0.72  0.12  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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