data_[La12Pt4Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5537]
_cell_length_b [12.8836]
_cell_length_c [7.3349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PtCl2]
_chemical_formula_sum '[La12 Pt4 Cl8]'
_cell_volume [672.6925]
_cell_formula_units_Z [4]
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  8  0.2421  0.3223  0.7599  1
  La  La1  4  0.2214  0.5000  0.2255  1
  Pt  Pt2  4  0.0000  0.3314  0.0000  1
  Cl  Cl3  4  0.0000  0.1522  0.5000  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]