data_[Ba4In4O12]
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 [Amm2]
_cell_length_a [8.6499]
_cell_length_b [6.0192]
_cell_length_c [6.0915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaInO3]
_chemical_formula_sum '[Ba4 In4 O12]'
_cell_volume [317.1557]
_cell_formula_units_Z [4]
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  0.2656  0.0000  0.9986  1.0
  In  In1  2  0.0000  0.0000  0.5239  1.0
  In  In2  2  0.5000  0.0000  0.4957  1.0
  O  O3  4  0.0000  0.1970  0.8261  1.0
  O  O4  4  0.2466  0.0000  0.4867  1.0
  O  O5  4  0.5000  0.2449  0.7508  1.0
]