data_[La10C2Cl10]
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 [C2/m]
_cell_length_a [12.6948]
_cell_length_b [5.7436]
_cell_length_c [8.3642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5CCl5]
_chemical_formula_sum '[La10 C2 Cl10]'
_cell_volume [576.2020]
_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  0.1456  0.0000  0.2835  1.0
  La  La1  4  0.1609  0.0000  0.8653  1.0
  La  La2  2  0.0000  0.5000  0.0000  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.1511  0.5000  0.8011  1.0
  Cl  Cl5  4  0.1685  0.5000  0.3471  1.0
  Cl  Cl6  2  0.0000  0.0000  0.5000  1.0
]