data_[Ti16V2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4960]
_cell_length_b [4.7844]
_cell_length_c [6.3386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8VBi2]
_chemical_formula_sum '[Ti16 V2 Bi4]'
_cell_volume [405.6133]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  4  0.0033  0.0000  0.7422  1.0
  Ti  Ti1  4  0.1106  0.5000  0.3983  1.0
  Ti  Ti2  4  0.1350  0.5000  0.8696  1.0
  Ti  Ti3  4  0.1619  0.0000  0.1596  1.0
  V  V4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1935  0.0000  0.6778  1.0
]