data_[Lu4Sc2Cu8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  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 [Immm]
_cell_length_a [4.0516]
_cell_length_b [6.4078]
_cell_length_c [13.3927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Lu2Sc(CuSi)4]
_chemical_formula_sum '[Lu4 Sc2 Cu8 Si8]'
_cell_volume [347.6989]
_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
[
  Lu  Lu0  4  0.0000  0.5000  0.1281  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  8  0.0000  0.3072  0.3302  1
  Si  Si3  4  0.0000  0.0000  0.2143  1
  Si  Si4  4  0.0000  0.1905  0.5000  1
]