data_[Y12Bi4C4]
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/m]
_cell_length_a [12.8162]
_cell_length_b [3.7277]
_cell_length_c [11.3543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3BiC]
_chemical_formula_sum '[Y12 Bi4 C4]'
_cell_volume [508.3740]
_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
[
  Y  Y0  4  0.1355  0.0000  0.1699  1.0
  Y  Y1  4  0.1394  0.5000  0.9061  1.0
  Y  Y2  4  0.1450  0.0000  0.6370  1.0
  Bi  Bi3  4  0.0766  0.5000  0.3731  1.0
  C  C4  4  0.2469  0.0000  0.8617  1.0
]