data_Pt2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   7.25
_cell_angle_alpha   105.91
_cell_angle_beta   105.91
_cell_angle_gamma   59.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2SeCl
_chemical_formula_sum   'Pt2 Se1 Cl1'
_cell_volume   86.6
_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  0.99  0.0  0.18  1.0
  Pt  Pt2  1  0.4  0.0  0.65  1.0
  Se  Se3  1  0.2  0.0  0.71  1.0
  Cl  Cl0  1  0.89  0.0  0.79  1.0

data_Pt2SeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   7.21
_cell_angle_alpha   75.33
_cell_angle_beta   74.7
_cell_angle_gamma   60.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2SeCl
_chemical_formula_sum   'Pt2 Se1 Cl1'
_cell_volume   86.6
_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  0.0  0.75  0.65  1.0
  Pt  Pt1  1  0.0  0.8  0.18  1.0
  Se  Se2  1  0.0  0.49  0.71  1.0
  Cl  Cl3  1  0.0  0.11  0.79  1.0

Pt Pt Se Cl