data_[Ba4Cu2Sb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0361]
_cell_length_b [5.5430]
_cell_length_c [5.5349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2CuSbO6]
_chemical_formula_sum '[Ba4 Cu2 Sb2 O12]'
_cell_volume [293.5210]
_cell_formula_units_Z [2]
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  0.2498  0.0000  0.7656  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0338  0.2399  0.7949  1.0
  O  O4  4  0.2033  0.5000  0.6664  1.0
]