data_[Ta12Nb4Ga24]
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 [Cmc2_1]
_cell_length_a [8.9370]
_cell_length_b [11.2983]
_cell_length_c [6.8514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ta3NbGa6]
_chemical_formula_sum '[Ta12 Nb4 Ga24]'
_cell_volume [691.8145]
_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  0.2171  0.0456  0.4636  1
  Ta  Ta1  4  0.0000  0.4440  0.3144  1
  Nb  Nb2  4  0.0000  0.1816  0.1014  1
  Ga  Ga3  8  0.1506  0.3728  0.6551  1
  Ga  Ga4  8  0.2421  0.1869  0.8047  1
  Ga  Ga5  4  0.0000  0.0488  0.7481  1
  Ga  Ga6  4  0.0000  0.2140  0.4749  1
]