data_[La12Pt4S2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0741]
_cell_length_b [4.1137]
_cell_length_c [8.7388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Pt2SCl3]
_chemical_formula_sum '[La12 Pt4 S2 Cl6]'
_cell_volume [665.0457]
_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
[
  La  La0  4  0.0021  0.0000  0.7725  1.0
  La  La1  4  0.1579  0.5000  0.0953  1.0
  La  La2  4  0.1714  0.5000  0.5598  1.0
  Pt  Pt3  4  0.1620  0.0000  0.3280  1.0
  S  S4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1721  0.0000  0.8377  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]