data_[Ba4Er4Cu4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Cmcm]
_cell_length_a [3.6992]
_cell_length_b [13.2880]
_cell_length_c [8.4488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaErCuO3]
_chemical_formula_sum '[Ba4 Er4 Cu4 O12]'
_cell_volume [415.3045]
_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
[
  Ba  Ba0  4  0.0000  0.3077  0.2500  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3955  0.7500  1.0
  O  O3  8  0.0000  0.3920  0.5340  1.0
  O  O4  4  0.0000  0.0593  0.7500  1.0
]