data_[Er24Cu12Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.8047]
_cell_length_b [9.8047]
_cell_length_c [9.8047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Er12Cu6Bi]
_chemical_formula_sum '[Er24 Cu12 Bi2]'
_cell_volume [942.5377]
_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
[
  Er  Er0  24  0.0000  0.1896  0.3012  1.0
  Cu  Cu1  12  0.0000  0.3762  0.5000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
]