data_[Ta2V8Ga4]
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 [P2_1/m]
_cell_length_a [6.6673]
_cell_length_b [4.9911]
_cell_length_c [6.8906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta(V2Ga)2]
_chemical_formula_sum '[Ta2 V8 Ga4]'
_cell_volume [206.2691]
_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  2  0.2999  0.2500  0.2223  1
  V  V1  4  0.2196  0.5026  0.5821  1
  V  V2  2  0.1350  0.7500  0.9036  1
  V  V3  2  0.4767  0.2500  0.9505  1
  Ga  Ga4  2  0.0201  0.2500  0.7924  1
  Ga  Ga5  2  0.4085  0.7500  0.3554  1
]