data_[Ta6Re6Si6]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.0121]
_cell_length_b [3.3010]
_cell_length_c [6.8439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TaReSi]
_chemical_formula_sum '[Ta6 Re6 Si6]'
_cell_volume [271.3725]
_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  0.0445  0.0000  0.7657  1.0
  Ta  Ta1  2  0.2500  0.0000  0.1771  1.0
  Si  Si2  4  0.0934  0.5000  0.0628  1.0
  Re  Re3  4  0.1179  0.5000  0.4369  1.0
  Si  Si4  2  0.2500  0.0000  0.5678  1.0
  Re  Re5  2  0.2500  0.5000  0.8274  1.0
]