data_[La8C4Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9873]
_cell_length_b [7.9918]
_cell_length_c [17.6540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La4C2Cl5]
_chemical_formula_sum '[La8 C4 Cl10]'
_cell_volume [562.5608]
_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  0.2121  0.5000  1.0
  La  La1  4  0.0000  0.5000  0.1698  1.0
  C  C2  4  0.0000  0.5000  0.0402  1.0
  Cl  Cl3  8  0.0000  0.2692  0.3330  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]