data_[Ca2Ga2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8174]
_cell_length_b [4.8174]
_cell_length_c [9.4430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaGaRuO6]
_chemical_formula_sum '[Ca2 Ga2 Ru2 O12]'
_cell_volume [219.1440]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  2  0.0000  0.0000  0.9973  1
  Ga  Ga1  2  0.0000  0.0000  0.3362  1
  Ru  Ru2  2  0.0000  0.0000  0.6664  1
  O  O3  4  0.1746  0.8254  0.5080  1
  O  O4  4  0.2133  0.7867  0.8069  1
  O  O5  4  0.2262  0.7738  0.1851  1
]