data_[Ta10Re48]
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 [I-43m]
_cell_length_a [9.6715]
_cell_length_b [9.6715]
_cell_length_c [9.6715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Ta5Re24]
_chemical_formula_sum '[Ta10 Re48]'
_cell_volume [904.6426]
_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  8  0.1826  0.8174  0.8174  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Re  Re2  24  0.0405  0.3586  0.6414  1
  Re  Re3  24  0.0910  0.0910  0.7148  1
]