data_[Sc8Ta16Bi12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  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 [10.2099]
_cell_length_b [5.9411]
_cell_length_c [14.1757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Ta4(BiC)3]
_chemical_formula_sum '[Sc8 Ta16 Bi12 C12]'
_cell_volume [834.2577]
_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
[
  Sc  Sc0  8  0.0498  0.5790  0.4127  1
  Ta  Ta1  8  0.1087  0.0907  0.0740  1
  Ta  Ta2  8  0.2286  0.0790  0.4259  1
  Bi  Bi3  8  0.1727  0.4116  0.2518  1
  Bi  Bi4  4  0.0000  0.0741  0.7500  1
  C  C5  8  0.0853  0.2439  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]