data_[Cu1Bi2Ru1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [P-1]
_cell_length_a [4.8196]
_cell_length_b [4.8888]
_cell_length_c [6.8749]
_cell_angle_alpha [86.0863]
_cell_angle_beta [84.7875]
_cell_angle_gamma [86.6985]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuBi2RuO8]
_chemical_formula_sum '[Cu1 Bi2 Ru1 O8]'
_cell_volume [160.7251]
_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
[
  Cu  Cu0  1  0.0000  0.0000  0.5000  1.0
  Bi  Bi1  2  0.4707  0.4703  0.2552  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1652  0.1250  0.2378  1.0
  O  O4  2  0.2451  0.1720  0.8096  1.0
  O  O5  2  0.2515  0.6788  0.0032  1.0
  O  O6  2  0.2659  0.7027  0.5060  1.0
]