data_[La21C3Cl36]
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 [R-3]
_cell_length_a [14.6677]
_cell_length_b [14.6677]
_cell_length_c [10.0009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La7CCl12]
_chemical_formula_sum '[La21 C3 Cl36]'
_cell_volume [1863.3511]
_cell_formula_units_Z [3]
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  18  0.0396  0.1622  0.8465  1
  La  La1  3  0.0000  0.0000  0.5000  1
  C  C2  3  0.0000  0.0000  0.0000  1
  Cl  Cl3  18  0.0257  0.5829  0.6606  1
  Cl  Cl4  18  0.0447  0.1797  0.3388  1
]