data_[Cs3Er1Bi2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-3m1]
_cell_length_a [6.4590]
_cell_length_b [6.4590]
_cell_length_c [8.5510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Er(BiO4)2]
_chemical_formula_sum '[Cs3 Er1 Bi2 O8]'
_cell_volume [308.9425]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.6990  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Er  Er2  1  0.0000  0.0000  0.5000  1
  Bi  Bi3  2  0.3333  0.6667  0.2583  1
  O  O4  6  0.1621  0.3242  0.3437  1
  O  O5  2  0.3333  0.6667  0.0250  1
]