data_PtW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   130.56
_cell_angle_beta   130.56
_cell_angle_gamma   72.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtW2Cl
_chemical_formula_sum   'Pt1 W2 Cl1'
_cell_volume   65.44
_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
  Pt  Pt1  1  0.04  0.0  0.97  1.0
  W  W2  1  0.0  0.0  0.93  1.0
  W  W3  1  0.0  0.04  0.97  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_PtW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.88
_cell_angle_alpha   114.72
_cell_angle_beta   114.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtW2Cl
_chemical_formula_sum   'Pt1 W2 Cl1'
_cell_volume   65.44
_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
  Pt  Pt0  1  0.97  0.93  0.93  1.0
  W  W1  1  0.93  0.97  0.93  1.0
  W  W2  1  0.93  0.93  0.93  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Pt W W Cl