data_[Rb4Ba4Cu4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  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 [13.9743]
_cell_length_b [3.9651]
_cell_length_c [8.1774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbBaCuO3]
_chemical_formula_sum '[Rb4 Ba4 Cu4 O12]'
_cell_volume [433.2499]
_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
[
  Rb  Rb0  4  0.1429  0.5000  0.0654  1.0
  Ba  Ba1  4  0.1526  0.5000  0.5849  1.0
  Cu  Cu2  4  0.0076  0.0000  0.2712  1.0
  O  O3  4  0.0046  0.5000  0.2861  1.0
  O  O4  4  0.1303  0.0000  0.7963  1.0
  O  O5  4  0.1460  0.0000  0.3450  1.0
]