data_[Y8Sc8Re8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.0910]
_cell_length_b [10.2553]
_cell_length_c [8.4852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YScRe]
_chemical_formula_sum '[Y8 Sc8 Re8]'
_cell_volume [529.9424]
_cell_formula_units_Z [8]
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
[
  Y  Y0  8  0.1764  0.3903  0.4066  1
  Sc  Sc1  4  0.0000  0.1020  0.2500  1
  Sc  Sc2  4  0.0000  0.3281  0.7500  1
  Re  Re3  8  0.1780  0.1486  0.9432  1
]