data_[Sc4Re6Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6808]
_cell_length_b [6.6365]
_cell_length_c [6.5504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sc2Re3Si4]
_chemical_formula_sum '[Sc4 Re6 Si8]'
_cell_volume [273.3988]
_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  0.1915  0.6686  0.5577  1
  Si  Si1  4  0.0970  0.0454  0.3702  1
  Re  Re2  4  0.2328  0.1497  0.7577  1
  Si  Si3  4  0.4942  0.1382  0.1345  1
  Re  Re4  2  0.5000  0.0000  0.5000  1
]