data_[La8Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0330]
_cell_length_b [4.2007]
_cell_length_c [10.8175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Cl3]
_chemical_formula_sum '[La8 Cl12]'
_cell_volume [646.7406]
_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  4  0.0926  0.5000  0.9461  1.0
  La  La1  4  0.1417  0.0000  0.2968  1.0
  Cl  Cl2  4  0.0464  0.0000  0.7401  1.0
  Cl  Cl3  4  0.1581  0.5000  0.5029  1.0
  Cl  Cl4  4  0.2280  0.0000  0.1170  1.0
]