data_[Cu8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9398]
_cell_length_b [4.2206]
_cell_length_c [5.8797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CuSi]
_chemical_formula_sum '[Cu8 Si8]'
_cell_volume [221.8517]
_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
[
  Cu  Cu0  4  0.0178  0.7500  0.1360  1
  Cu  Cu1  4  0.0590  0.7500  0.6088  1
  Si  Si2  4  0.1716  0.2500  0.1674  1
  Si  Si3  4  0.1961  0.2500  0.5714  1
]