data_[Ti14Ga4Bi4]
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 [10.7508]
_cell_length_b [8.9092]
_cell_length_c [4.7861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7(GaBi)2]
_chemical_formula_sum '[Ti14 Ga4 Bi4]'
_cell_volume [418.2573]
_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  0.2135  0.1730  0.2237  1
  Ti  Ti1  4  0.0085  0.5000  0.2666  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  Ga  Ga3  4  0.2448  0.5000  0.2184  1
  Bi  Bi4  4  0.0000  0.2044  0.5000  1
]