data_[Ba8Y4In4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6243]
_cell_length_b [14.5361]
_cell_length_c [11.8315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2YInO5]
_chemical_formula_sum '[Ba8 Y4 In4 O20]'
_cell_volume [623.3163]
_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  0.0000  0.1021  0.6880  1.0
  Ba  Ba1  4  0.0000  0.1441  0.2954  1.0
  Y  Y2  4  0.0000  0.2173  0.0157  1.0
  In  In3  4  0.0000  0.4755  0.4575  1.0
  O  O4  4  0.0000  0.0549  0.0436  1.0
  O  O5  4  0.0000  0.2782  0.6423  1.0
  O  O6  4  0.0000  0.3170  0.3971  1.0
  O  O7  4  0.0000  0.3718  0.9981  1.0
  O  O8  4  0.0000  0.4916  0.7862  1.0
]