data_[Ba1In2Ru1O8]
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
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5012]
_cell_length_b [5.1673]
_cell_length_c [7.0993]
_cell_angle_alpha [87.7111]
_cell_angle_beta [79.7252]
_cell_angle_gamma [89.8152]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaIn2RuO8]
_chemical_formula_sum '[Ba1 In2 Ru1 O8]'
_cell_volume [162.3428]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  In  In1  2  0.4692  0.5106  0.7714  1
  Ru  Ru2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.2006  0.8132  0.1620  1
  O  O4  2  0.2390  0.4874  0.5066  1
  O  O5  2  0.2393  0.3187  0.0271  1
  O  O6  2  0.3004  0.9027  0.7806  1
]