data_[La4Cl12]
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 [7.6070]
_cell_length_b [13.0705]
_cell_length_c [7.0170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCl3]
_chemical_formula_sum '[La4 Cl12]'
_cell_volume [654.4385]
_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  0.0000  0.1668  0.0000  1.0
  Cl  Cl1  8  0.2318  0.1930  0.7672  1.0
  Cl  Cl2  4  0.1819  0.0000  0.2388  1.0
]