data_[La8Bi4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3348]
_cell_length_b [6.9079]
_cell_length_c [9.6293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La4Bi2C]
_chemical_formula_sum '[La8 Bi4 C2]'
_cell_volume [460.0663]
_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  0.4945  0.5052  0.2721  1.0
  La  La1  2  0.0761  0.2500  0.3562  1.0
  La  La2  2  0.1144  0.2500  0.9410  1.0
  Bi  Bi3  2  0.2075  0.7500  0.4268  1.0
  Bi  Bi4  2  0.2899  0.7500  0.9521  1.0
  C  C5  2  0.2715  0.2500  0.1981  1.0
]