data_[Ba8Sb2P2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.2164]
_cell_length_b [5.2164]
_cell_length_c [18.2482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ba4SbPO]
_chemical_formula_sum '[Ba8 Sb2 P2 O2]'
_cell_volume [496.5554]
_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  0.5000  0.0044  1.0
  Ba  Ba1  2  0.0000  0.0000  0.1674  1.0
  Ba  Ba2  2  0.0000  0.0000  0.8061  1.0
  Sb  Sb3  2  0.0000  0.0000  0.3612  1.0
  P  P4  2  0.0000  0.0000  0.6305  1.0
  O  O5  2  0.0000  0.0000  0.0260  1.0
]