data_BaPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   6.2
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt2Cl
_chemical_formula_sum   'Ba1 Pt2 Cl1'
_cell_volume   103.29
_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
  Ba  Ba0  1  0.94  0.0  0.13  1.0
  Pt  Pt2  1  0.77  0.1  0.07  1.0
  Pt  Pt3  1  0.12  0.1  0.18  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_BaPt2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.26
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt2Cl
_chemical_formula_sum   'Ba1 Pt2 Cl1'
_cell_volume   103.29
_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
  Ba  Ba0  1  0.06  0.87  0.0  1.0
  Pt  Pt1  1  0.23  0.93  0.9  1.0
  Pt  Pt2  1  0.88  0.82  0.9  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ba Pt Pt Cl