data_[Sc8Cr4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3087]
_cell_length_b [3.9658]
_cell_length_c [9.5428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2CrSi2]
_chemical_formula_sum '[Sc8 Cr4 Si8]'
_cell_volume [343.7571]
_cell_formula_units_Z [4]
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  0.0052  0.0000  0.6760  1.0
  Sc  Sc1  4  0.1855  0.0000  0.1075  1.0
  Cr  Cr2  4  0.2257  0.5000  0.3727  1.0
  Si  Si3  4  0.0097  0.5000  0.8788  1.0
  Si  Si4  4  0.1361  0.5000  0.5649  1.0
]