data_[Ta4V1Re5]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1746]
_cell_length_b [3.1746]
_cell_length_c [15.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ta4VRe5]
_chemical_formula_sum '[Ta4 V1 Re5]'
_cell_volume [160.9651]
_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  2  0.0000  0.0000  0.1953  1.0
  Ta  Ta1  2  0.0000  0.0000  0.3984  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  Re  Re3  2  0.5000  0.5000  0.0935  1.0
  Re  Re4  2  0.5000  0.5000  0.2968  1.0
  Re  Re5  1  0.5000  0.5000  0.5000  1.0
]