data_[Rb1Nb1Ru1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nb  1.6000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2189]
_cell_length_b [5.4239]
_cell_length_c [6.2999]
_cell_angle_alpha [88.8236]
_cell_angle_beta [87.9608]
_cell_angle_gamma [61.4976]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbNbRuO6]
_chemical_formula_sum '[Rb1 Nb1 Ru1 O6]'
_cell_volume [156.6148]
_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
[
  Rb  Rb0  1  0.0012  0.0033  0.9942  1.0
  Nb  Nb1  1  0.3316  0.3257  0.4666  1.0
  Ru  Ru2  1  0.6642  0.6804  0.5228  1.0
  O  O3  1  0.3865  0.9887  0.3305  1.0
  O  O4  1  0.4193  0.5818  0.6802  1.0
  O  O5  1  0.6064  0.9918  0.6764  1.0
  O  O6  1  0.6144  0.4007  0.3241  1.0
  O  O7  1  0.9819  0.6094  0.3205  1.0
  O  O8  1  0.9946  0.4178  0.6845  1.0
]