data_[La12Bi4C4]
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 [Cmmm]
_cell_length_a [7.1474]
_cell_length_b [15.4896]
_cell_length_c [5.1866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La3BiC]
_chemical_formula_sum '[La12 Bi4 C4]'
_cell_volume [574.2059]
_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  0.3649  0.5000  1.0
  La  La1  4  0.2473  0.5000  0.0000  1.0
  La  La2  4  0.2500  0.2500  0.0000  1.0
  Bi  Bi3  4  0.0000  0.1360  0.5000  1.0
  C  C4  4  0.0000  0.3813  0.0000  1.0
]