data_[Nd12Bi4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0809]
_cell_length_b [22.8443]
_cell_length_c [5.0048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3BiC]
_chemical_formula_sum '[Nd12 Bi4 C4]'
_cell_volume [580.9014]
_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
[
  Nd  Nd0  4  0.0000  0.0576  0.7500  1.0
  Nd  Nd1  4  0.0000  0.1807  0.2500  1.0
  Nd  Nd2  4  0.0000  0.4303  0.7500  1.0
  Bi  Bi3  4  0.0000  0.3284  0.2500  1.0
  C  C4  4  0.0000  0.0773  0.2500  1.0
]