data_[Ta8Nb12Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5339]
_cell_length_b [9.6205]
_cell_length_c [5.1577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Nb3Ga4]
_chemical_formula_sum '[Ta8 Nb12 Ga16]'
_cell_volume [621.9122]
_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
[
  Ta  Ta0  8  0.2202  0.3758  0.3494  1
  Nb  Nb1  8  0.1397  0.1142  0.0934  1
  Nb  Nb2  4  0.0000  0.4048  0.2500  1
  Ga  Ga3  8  0.0676  0.1634  0.5622  1
  Ga  Ga4  8  0.1390  0.3640  0.8405  1
]