data_[Cs4Ba4Er4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5115]
_cell_length_b [13.1177]
_cell_length_c [6.3037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsBaErO3]
_chemical_formula_sum '[Cs4 Ba4 Er4 O12]'
_cell_volume [538.4399]
_cell_formula_units_Z [4]
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  4  0.0000  0.2473  0.2500  1.0
  Ba  Ba1  4  0.0000  0.4149  0.7500  1.0
  Er  Er2  4  0.0000  0.0564  0.7500  1.0
  O  O3  8  0.2213  0.0000  0.0000  1.0
  O  O4  4  0.0000  0.2171  0.7500  1.0
]