data_[Sr1Mg1Ru2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P-3m1]
_cell_length_a [5.7382]
_cell_length_b [5.7382]
_cell_length_c [6.9525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [SrMg(RuO4)2]
_chemical_formula_sum '[Sr1 Mg1 Ru2 O8]'
_cell_volume [198.2547]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  1  0.0000  0.0000  0.5000  1
  Ru  Ru2  2  0.3333  0.6667  0.7614  1
  O  O3  6  0.1581  0.3162  0.6971  1
  O  O4  2  0.3333  0.6667  0.0174  1
]