data_[Cs4Er4Cu4O12]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8431]
_cell_length_b [3.8660]
_cell_length_c [8.0716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsErCuO3]
_chemical_formula_sum '[Cs4 Er4 Cu4 O12]'
_cell_volume [390.1483]
_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  0.1433  0.5000  0.0688  1.0
  Er  Er1  4  0.1487  0.5000  0.5660  1.0
  Cu  Cu2  4  0.0108  0.0000  0.3176  1.0
  O  O3  4  0.0093  0.5000  0.3282  1.0
  O  O4  4  0.1441  0.0000  0.7318  1.0
  O  O5  4  0.1703  0.0000  0.3860  1.0
]