data_KPt2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   55.99
_cell_angle_beta   55.99
_cell_angle_gamma   55.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPt2S3
_chemical_formula_sum   'K2 Pt4 S6'
_cell_volume   284.25
_cell_formula_units_Z   2
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
  K  K0  1  0.0  0.0  0.5  1.0
  K  K1  1  0.0  0.0  0.72  1.0
  Pt  Pt2  1  0.0  0.07  0.41  1.0
  Pt  Pt3  1  0.79  0.97  0.41  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.21  0.97  0.41  1.0
  S  S6  1  0.75  0.01  0.57  1.0
  S  S7  1  0.25  0.01  0.57  1.0
  S  S8  1  0.0  0.98  0.57  1.0
  S  S9  1  0.0  0.02  0.65  1.0
  S  S10  1  0.75  0.99  0.65  1.0
  S  S11  1  0.25  0.99  0.65  1.0

data_KPt2S3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.62
_cell_angle_alpha   62.0
_cell_angle_beta   62.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPt2S3
_chemical_formula_sum   'K2 Pt4 S6'
_cell_volume   284.25
_cell_formula_units_Z   2
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
  K  K0  1  0.0  0.28  0.72  1.0
  K  K1  1  0.0  0.5  0.5  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.03  0.59  0.58  1.0
  Pt  Pt4  1  0.03  0.59  0.16  1.0
  Pt  Pt5  1  0.93  0.59  0.47  1.0
  S  S6  1  0.01  0.35  0.89  1.0
  S  S7  1  0.01  0.35  0.38  1.0
  S  S8  1  0.02  0.43  0.56  1.0
  S  S9  1  0.98  0.35  0.66  1.0
  S  S10  1  0.99  0.43  0.84  1.0
  S  S11  1  0.99  0.43  0.33  1.0

K K Pt Pt Pt Pt S S S S S S