data_[Ca4Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4639]
_cell_length_b [6.0143]
_cell_length_c [8.8999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2RuO6]
_chemical_formula_sum '[Ca4 Ru2 O12]'
_cell_volume [250.5260]
_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  4  0.1976  0.5914  0.2397  1
  Ru  Ru1  2  0.5000  0.0000  0.5000  1
  O  O2  4  0.1657  0.6580  0.9506  1
  O  O3  4  0.2848  0.2368  0.9154  1
  O  O4  4  0.4253  0.5659  0.7746  1
]