data_[Ta18Re12]
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 [9.9335]
_cell_length_b [9.9335]
_cell_length_c [5.1893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ta3Re2]
_chemical_formula_sum '[Ta18 Re12]'
_cell_volume [512.0487]
_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  8  0.0361  0.6387  0.5000  1
  Ta  Ta1  8  0.0593  0.7417  0.0000  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  Re  Re3  8  0.1923  0.1923  0.2515  1
  Re  Re4  4  0.0946  0.9054  0.5000  1
]