data_[Sc16Co4Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9256]
_cell_length_b [11.4859]
_cell_length_c [5.0832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc8Co2Re]
_chemical_formula_sum '[Sc16 Co4 Re2]'
_cell_volume [445.3084]
_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
[
  Sc  Sc0  4  0.1926  0.1285  0.5730  1
  Sc  Sc1  4  0.3120  0.3720  0.4062  1
  Sc  Sc2  4  0.4999  0.2702  0.9937  1
  Sc  Sc3  2  0.1433  0.5000  0.8171  1
  Sc  Sc4  2  0.3660  0.0000  0.1763  1
  Co  Co5  4  0.0062  0.3185  0.4991  1
  Re  Re6  2  0.0030  0.0000  0.0620  1
]