data_[Sc4Cu8Si12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4997]
_cell_length_b [5.5127]
_cell_length_c [12.3851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScCu2Si3]
_chemical_formula_sum '[Sc4 Cu8 Si12]'
_cell_volume [366.1473]
_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  0.1460  0.0000  0.2966  1.0
  Si  Si1  8  0.2207  0.2746  0.9034  1.0
  Cu  Cu2  4  0.0000  0.2502  0.5000  1.0
  Cu  Cu3  4  0.1163  0.5000  0.1997  1.0
  Si  Si4  4  0.1927  0.5000  0.3872  1.0
]