data_[Sc24Re16Si32]
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 [C2/c]
_cell_length_a [19.6302]
_cell_length_b [5.3543]
_cell_length_c [13.7433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc3(ReSi2)2]
_chemical_formula_sum '[Sc24 Re16 Si32]'
_cell_volume [1175.6680]
_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
[
  Sc  Sc0  8  0.0813  0.3836  0.1568  1
  Sc  Sc1  8  0.1168  0.3641  0.4537  1
  Sc  Sc2  8  0.1641  0.1282  0.8607  1
  Re  Re3  8  0.0255  0.1142  0.9228  1
  Si  Si4  8  0.1153  0.1149  0.6246  1
  Si  Si5  8  0.1746  0.2230  0.0718  1
  Si  Si6  8  0.2270  0.3791  0.3893  1
  Re  Re7  8  0.2360  0.4094  0.7174  1
  Si  Si8  4  0.0000  0.1129  0.2500  1
  Si  Si9  4  0.0000  0.3619  0.7500  1
]