data_[Ti12Co2Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8312]
_cell_length_b [4.5329]
_cell_length_c [10.6774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti6CoBi3]
_chemical_formula_sum '[Ti12 Co2 Bi6]'
_cell_volume [392.8914]
_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  2  0.0499  0.7500  0.8940  1
  Ti  Ti1  2  0.0927  0.2500  0.6143  1
  Ti  Ti2  2  0.1411  0.7500  0.2061  1
  Ti  Ti3  2  0.2378  0.7500  0.5028  1
  Ti  Ti4  2  0.2800  0.2500  0.3577  1
  Ti  Ti5  2  0.4729  0.7500  0.0741  1
  Co  Co6  2  0.0282  0.2500  0.3605  1
  Bi  Bi7  2  0.2362  0.2500  0.0454  1
  Bi  Bi8  2  0.3034  0.7500  0.7893  1
  Bi  Bi9  2  0.4994  0.7500  0.3594  1
]