data_[La8Pt2Cl6]
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 [Cmmm]
_cell_length_a [8.4476]
_cell_length_b [12.0764]
_cell_length_c [4.1830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La4PtCl3]
_chemical_formula_sum '[La8 Pt2 Cl6]'
_cell_volume [426.7392]
_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  0.0000  0.2488  0.5000  1.0
  La  La1  4  0.2373  0.0000  0.0000  1.0
  Pt  Pt2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.2500  0.2500  0.0000  1.0
  Cl  Cl4  2  0.0000  0.5000  0.5000  1.0
]