data_[Mg2V1Ru1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [P4mm]
_cell_length_a [5.7042]
_cell_length_b [5.7042]
_cell_length_c [3.8048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Mg2VRuO6]
_chemical_formula_sum '[Mg2 V1 Ru1 O6]'
_cell_volume [123.7990]
_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  2  0.0000  0.5000  0.8388  1
  V  V1  1  0.0000  0.0000  0.6559  1
  Ru  Ru2  1  0.5000  0.5000  0.7150  1
  O  O3  4  0.2452  0.2452  0.7423  1
  O  O4  1  0.0000  0.0000  0.2098  1
  O  O5  1  0.5000  0.5000  0.2193  1
]