data_[Ba10In4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6826]
_cell_length_b [5.9898]
_cell_length_c [7.4289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5In2O2]
_chemical_formula_sum '[Ba10 In4 O4]'
_cell_volume [647.7851]
_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  0.1559  0.0000  0.5634  1.0
  Ba  Ba1  4  0.1690  0.5000  0.9323  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.0632  0.5000  0.3604  1.0
  O  O4  4  0.1680  0.0000  0.9031  1.0
]