data_[Ba8Zn4In4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  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 [3.5413]
_cell_length_b [15.4399]
_cell_length_c [10.8201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ZnInO5]
_chemical_formula_sum '[Ba8 Zn4 In4 O20]'
_cell_volume [591.6083]
_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  0.1128  0.6852  1.0
  Ba  Ba1  4  0.0000  0.1293  0.3104  1.0
  Zn  Zn2  4  0.0000  0.4455  0.4518  1.0
  In  In3  4  0.0000  0.2103  0.0159  1.0
  O  O4  4  0.0000  0.0615  0.0319  1.0
  O  O5  4  0.0000  0.2893  0.6492  1.0
  O  O6  4  0.0000  0.3148  0.3868  1.0
  O  O7  4  0.0000  0.3481  0.0022  1.0
  O  O8  4  0.0000  0.4995  0.2907  1.0
]