data_[Ba2Sb3O7]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1471]
_cell_length_b [11.7134]
_cell_length_c [4.1527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba2Sb3O7]
_chemical_formula_sum '[Ba2 Sb3 O7]'
_cell_volume [201.7236]
_cell_formula_units_Z [1]
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  2  0.5000  0.3022  0.5108  1
  Sb  Sb1  2  0.0000  0.1286  0.0027  1
  Sb  Sb2  1  0.0000  0.5000  0.0558  1
  O  O3  2  0.0000  0.1505  0.5013  1
  O  O4  2  0.0000  0.3133  0.9959  1
  O  O5  2  0.5000  0.1493  0.0018  1
  O  O6  1  0.5000  0.5000  0.9012  1
]