data_[La2Bi2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9362]
_cell_length_b [12.4732]
_cell_length_c [6.9270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaBiCl6]
_chemical_formula_sum '[La2 Bi2 Cl12]'
_cell_volume [577.3184]
_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  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl2  8  0.2419  0.3533  0.7457  1.0
  Cl  Cl3  4  0.2491  0.0000  0.7445  1.0
]