data_[Ti16Ga4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4742]
_cell_length_b [5.2831]
_cell_length_c [5.1576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Ga2Bi]
_chemical_formula_sum '[Ti16 Ga4 Bi2]'
_cell_volume [388.1781]
_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  8  0.0989  0.2565  0.5219  1
  Ti  Ti1  4  0.0960  0.5000  0.9986  1
  Ti  Ti2  4  0.2178  0.0000  0.1180  1
  Ga  Ga3  4  0.2410  0.5000  0.3545  1
  Bi  Bi4  2  0.0000  0.0000  0.0000  1
]