data_[Na1Sr1Ru1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1688]
_cell_length_b [5.5078]
_cell_length_c [5.7772]
_cell_angle_alpha [64.6974]
_cell_angle_beta [86.9496]
_cell_angle_gamma [86.3703]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaSrRuO6]
_chemical_formula_sum '[Na1 Sr1 Ru1 O6]'
_cell_volume [119.6343]
_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
[
  Na  Na0  1  0.2393  0.3182  0.3788  1
  Sr  Sr1  1  0.8607  0.9854  0.0029  1
  Ru  Ru2  1  0.5539  0.7035  0.6177  1
  O  O3  1  0.1888  0.4169  0.8798  1
  O  O4  1  0.3300  0.7826  0.3279  1
  O  O5  1  0.3730  0.8817  0.7973  1
  O  O6  1  0.7248  0.3979  0.6059  1
  O  O7  1  0.8202  0.9764  0.4446  1
  O  O8  1  0.9094  0.5377  0.9449  1
]