data_[Ta6Re24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.6779]
_cell_length_b [9.6779]
_cell_length_c [5.0209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [TaRe4]
_chemical_formula_sum '[Ta6 Re24]'
_cell_volume [470.2704]
_cell_formula_units_Z [6]
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  0.1066  0.8934  0.5000  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Re  Re2  8  0.0316  0.6314  0.5000  1
  Re  Re3  8  0.0651  0.7330  0.0000  1
  Re  Re4  8  0.1833  0.1833  0.2512  1
]