data_CuPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   134.8
_cell_angle_beta   134.8
_cell_angle_gamma   65.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt2Cl
_chemical_formula_sum   'Cu1 Pt2 Cl1'
_cell_volume   63.69
_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
  Cu  Cu1  1  0.0  0.0  0.24  1.0
  Pt  Pt2  1  0.0  0.94  0.12  1.0
  Pt  Pt3  1  0.94  0.0  0.12  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CuPt2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   122.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuPt2Cl
_chemical_formula_sum   'Cu2 Pt4 Cl2'
_cell_volume   127.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  2  0.0  0.0  0.24  1.0
  Pt  Pt1  4  0.03  0.03  0.18  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Cu Pt Pt Cl