data_[Cs1V1Ru1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  V  1.6300  1.3500  0.7775
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0563]
_cell_length_b [5.2636]
_cell_length_c [6.6939]
_cell_angle_alpha [88.8481]
_cell_angle_beta [87.8822]
_cell_angle_gamma [61.3227]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsVRuO6]
_chemical_formula_sum '[Cs1 V1 Ru1 O6]'
_cell_volume [156.1941]
_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
[
  Cs  Cs0  1  0.0033  0.0025  0.9981  1.0
  V  V1  1  0.3330  0.3255  0.4703  1.0
  Ru  Ru2  1  0.6642  0.6810  0.5219  1.0
  O  O3  1  0.0067  0.4051  0.6663  1.0
  O  O4  1  0.3846  0.0073  0.3433  1.0
  O  O5  1  0.4091  0.5807  0.6654  1.0
  O  O6  1  0.5996  0.3985  0.3375  1.0
  O  O7  1  0.6028  0.0032  0.6621  1.0
  O  O8  1  0.9968  0.5960  0.3350  1.0
]