data_[Ba8Pr4In4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  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 [3.7082]
_cell_length_b [14.8979]
_cell_length_c [11.7442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2PrInO5]
_chemical_formula_sum '[Ba8 Pr4 In4 O20]'
_cell_volume [648.7955]
_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  0.1039  0.6934  1.0
  Ba  Ba1  4  0.0000  0.1391  0.2944  1.0
  Pr  Pr2  4  0.0000  0.2172  0.0129  1.0
  In  In3  4  0.0000  0.4785  0.4594  1.0
  O  O4  4  0.0000  0.0502  0.0426  1.0
  O  O5  4  0.0000  0.2797  0.6484  1.0
  O  O6  4  0.0000  0.3215  0.3888  1.0
  O  O7  4  0.0000  0.3749  0.9987  1.0
  O  O8  4  0.0000  0.4918  0.7853  1.0
]