data_[Bi2Ru2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8600]
_cell_length_b [4.9600]
_cell_length_c [5.6862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiRuO4]
_chemical_formula_sum '[Bi2 Ru2 O8]'
_cell_volume [157.3311]
_cell_formula_units_Z [2]
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
[
  Bi  Bi0  2  0.5000  0.0000  0.5000  1.0
  Ru  Ru1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.1101  0.2054  0.3209  1.0
  O  O3  4  0.3301  0.6308  0.6047  1.0
]