data_[Er8Bi12O38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [9.6399]
_cell_length_b [9.6399]
_cell_length_c [9.6399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Er4Bi6O19]
_chemical_formula_sum '[Er8 Bi12 O38]'
_cell_volume [895.8058]
_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  8  0.1419  0.1419  0.8581  1
  Bi  Bi1  12  0.0000  0.3227  0.5000  1
  O  O2  24  0.0436  0.2959  0.7240  1
  O  O3  12  0.0000  0.0000  0.3534  1
  O  O4  2  0.0000  0.0000  0.0000  1
]