data_NiPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   4.69
_cell_angle_alpha   97.94
_cell_angle_beta   97.94
_cell_angle_gamma   29.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPtCl2
_chemical_formula_sum   'Ni1 Pt1 Cl2'
_cell_volume   85.86
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.58  0.0  0.32  1.0
  Cl  Cl0  1  0.39  0.0  0.93  1.0
  Cl  Cl1  1  0.77  0.0  0.71  1.0

data_NiPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.69
_cell_length_c   6.12
_cell_angle_alpha   97.94
_cell_angle_beta   104.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPtCl2
_chemical_formula_sum   'Ni1 Pt1 Cl2'
_cell_volume   85.86
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.32  0.58  1.0
  Cl  Cl2  1  0.0  0.71  0.77  1.0
  Cl  Cl3  1  0.0  0.93  0.39  1.0

Ni Pt Cl Cl
Ni Pt Cl Cl 0 3 - o - 1 2 o o - 1 3 o o o 