data_[Cu60Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [7.3693]
_cell_length_b [40.5601]
_cell_length_c [3.6990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [49]
_chemical_formula_structural [Cu15Bi]
_chemical_formula_sum '[Cu60 Bi4]'
_cell_volume [1105.6259]
_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
[
  Cu  Cu0  4  0.1024  0.1834  0.0000  1
  Cu  Cu1  4  0.1235  0.3508  0.0000  1
  Cu  Cu2  4  0.1249  0.4363  0.0000  1
  Cu  Cu3  4  0.1250  0.4788  0.5000  1
  Cu  Cu4  4  0.1252  0.3077  0.5000  1
  Cu  Cu5  4  0.1254  0.3936  0.5000  1
  Cu  Cu6  4  0.1289  0.2651  0.0000  1
  Cu  Cu7  4  0.1394  0.2246  0.5000  1
  Cu  Cu8  4  0.3737  0.3085  0.0000  1
  Cu  Cu9  4  0.3746  0.3508  0.5000  1
  Cu  Cu10  4  0.3746  0.3935  0.0000  1
  Cu  Cu11  4  0.3749  0.4788  0.0000  1
  Cu  Cu12  4  0.3753  0.4363  0.5000  1
  Cu  Cu13  4  0.3824  0.2652  0.5000  1
  Cu  Cu14  4  0.3863  0.2183  0.0000  1
  Bi  Bi15  4  0.3138  0.1582  0.5000  1
]