data_[Ti8Ga20Mo8]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.4986]
_cell_length_b [7.1088]
_cell_length_c [5.3381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ti2Ga5Mo2]
_chemical_formula_sum '[Ti8 Ga20 Mo8]'
_cell_volume [588.1324]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0581  1
  Ti  Ti1  4  0.2500  0.5780  0.2049  1
  Ga  Ga2  8  0.0971  0.2004  0.7411  1
  Ga  Ga3  8  0.1683  0.5764  0.6897  1
  Ga  Ga4  4  0.2500  0.2432  0.4566  1
  Mo  Mo5  8  0.0552  0.6436  0.0414  1
]