data_[Ti14Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9945]
_cell_length_b [4.1005]
_cell_length_c [6.2039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7Bi3]
_chemical_formula_sum '[Ti14 Bi6]'
_cell_volume [390.0787]
_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  0.0921  0.5000  0.7986  1.0
  Ti  Ti1  4  0.1051  0.5000  0.3039  1.0
  Ti  Ti2  4  0.1973  0.0000  0.1058  1.0
  Ti  Ti3  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi4  4  0.1915  0.0000  0.6342  1.0
  Bi  Bi5  2  0.0000  0.0000  0.0000  1.0
]