data_[Ta1V5Ga6]
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/m]
_cell_length_a [4.8224]
_cell_length_b [5.3855]
_cell_length_c [6.7012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TaV5Ga6]
_chemical_formula_sum '[Ta1 V5 Ga6]'
_cell_volume [173.7728]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  V  V1  2  0.3298  0.5000  0.3338  1.0
  V  V2  2  0.3419  0.0000  0.3358  1.0
  V  V3  1  0.0000  0.5000  0.0000  1.0
  Ga  Ga4  4  0.1681  0.2528  0.6624  1.0
  Ga  Ga5  2  0.5000  0.2570  0.0000  1.0
]