data_[Cu4Bi6]
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 [P2_1/m]
_cell_length_a [7.5131]
_cell_length_b [4.9060]
_cell_length_c [20.0895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cu2Bi3]
_chemical_formula_sum '[Cu4 Bi6]'
_cell_volume [740.4837]
_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
[
  Cu  Cu0  2  0.2104  0.7500  0.4863  1
  Cu  Cu1  2  0.5000  0.0000  0.5000  1
  Bi  Bi2  2  0.0942  0.2500  0.4413  1
  Bi  Bi3  2  0.3341  0.7500  0.6143  1
  Bi  Bi4  2  0.4065  0.7500  0.3733  1
]