data_[Er16Cu2Bi4]
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 [C2/m]
_cell_length_a [17.8416]
_cell_length_b [5.0910]
_cell_length_c [6.7518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8CuBi2]
_chemical_formula_sum '[Er16 Cu2 Bi4]'
_cell_volume [612.5391]
_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  4  0.0277  0.0000  0.7565  1.0
  Er  Er1  4  0.0896  0.5000  0.4261  1.0
  Er  Er2  4  0.1501  0.5000  0.9059  1.0
  Er  Er3  4  0.2128  0.0000  0.6327  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1680  0.0000  0.1701  1.0
]