data_[Mg1Ru2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6665]
_cell_length_b [5.7701]
_cell_length_c [8.1461]
_cell_angle_alpha [74.9127]
_cell_angle_beta [71.7760]
_cell_angle_gamma [64.2570]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg(RuO4)2]
_chemical_formula_sum '[Mg1 Ru2 O8]'
_cell_volume [225.4545]
_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
[
  Mg  Mg0  1  0.0002  0.5725  0.6957  1.0
  Ru  Ru1  1  0.2754  0.7546  0.2459  1.0
  Ru  Ru2  1  0.7061  0.2445  0.7511  1.0
  O  O3  1  0.0421  0.7923  0.4485  1.0
  O  O4  1  0.1461  0.6985  0.1026  1.0
  O  O5  1  0.3441  0.0306  0.1657  1.0
  O  O6  1  0.3781  0.4121  0.7119  1.0
  O  O7  1  0.5648  0.4948  0.2793  1.0
  O  O8  1  0.7662  0.3915  0.8937  1.0
  O  O9  1  0.8112  0.9026  0.8023  1.0
  O  O10  1  0.9379  0.3369  0.5674  1.0
]