data_[Ta16V2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4280]
_cell_length_b [4.6656]
_cell_length_c [7.2048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta8VGa2]
_chemical_formula_sum '[Ta16 V2 Ga4]'
_cell_volume [382.9960]
_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
[
  Ta  Ta0  4  0.0413  0.0000  0.7286  1.0
  Ta  Ta1  4  0.0950  0.5000  0.4381  1.0
  Ta  Ta2  4  0.1365  0.0000  0.1887  1.0
  Ta  Ta3  4  0.1754  0.5000  0.8933  1.0
  V  V4  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga5  4  0.2228  0.0000  0.6578  1.0
]