data_[Mn16V8Bi12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  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 [9.6341]
_cell_length_b [5.5544]
_cell_length_c [13.6512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn4V2(BiC)3]
_chemical_formula_sum '[Mn16 V8 Bi12 C12]'
_cell_volume [710.3459]
_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
[
  Mn  Mn0  8  0.1046  0.0814  0.0661  1
  Mn  Mn1  8  0.2265  0.0844  0.4341  1
  V  V2  8  0.0617  0.4156  0.9318  1
  Bi  Bi3  8  0.1661  0.4189  0.2502  1
  Bi  Bi4  4  0.0000  0.0836  0.7500  1
  C  C5  8  0.0830  0.2525  0.5004  1
  C  C6  4  0.2500  0.2500  0.0000  1
]