data_[Y24Bi8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8866]
_cell_length_b [13.5377]
_cell_length_c [6.3584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y3BiC]
_chemical_formula_sum '[Y24 Bi8 C8]'
_cell_volume [1020.6879]
_cell_formula_units_Z [8]
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
[
  Y  Y0  8  0.1028  0.3405  0.0770  1.0
  Y  Y1  8  0.1139  0.0697  0.0960  1.0
  Y  Y2  8  0.1155  0.1932  0.5898  1.0
  Bi  Bi3  8  0.1651  0.4222  0.5583  1.0
  C  C4  4  0.0000  0.0643  0.7500  1.0
  C  C5  4  0.0000  0.2074  0.2500  1.0
]