data_[Ba10Zn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6089]
_cell_length_b [11.7840]
_cell_length_c [6.7048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5ZnO6]
_chemical_formula_sum '[Ba10 Zn2 O12]'
_cell_volume [501.6429]
_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  0.0000  0.1616  0.5000  1
  Ba  Ba1  4  0.0000  0.3257  0.0000  1
  Ba  Ba2  2  0.0000  0.5000  0.5000  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
  O  O4  8  0.2182  0.6753  0.7204  1
  O  O5  4  0.1928  0.0000  0.8352  1
]