data_[Ta4V12Ga8]
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 [12.7492]
_cell_length_b [4.2763]
_cell_length_c [8.8471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.4425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaV3Ga2]
_chemical_formula_sum '[Ta4 V12 Ga8]'
_cell_volume [355.9438]
_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  4  0.0876  0.0000  0.9618  1
  V  V1  4  0.0749  0.5000  0.7001  1
  V  V2  4  0.0793  0.0000  0.4399  1
  V  V3  4  0.2395  0.5000  0.6312  1
  Ga  Ga4  4  0.1008  0.5000  0.2404  1
  Ga  Ga5  4  0.2286  0.0000  0.8323  1
]