data_[Ca4Ga2Ru2O12]
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 [P2_1/c]
_cell_length_a [5.4131]
_cell_length_b [5.5508]
_cell_length_c [9.4144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2GaRuO6]
_chemical_formula_sum '[Ca4 Ga2 Ru2 O12]'
_cell_volume [231.3885]
_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  0.2636  0.5529  0.7512  1.0
  Ga  Ga1  2  0.5000  0.0000  0.0000  1.0
  Ru  Ru2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1593  0.5252  0.2490  1.0
  O  O4  4  0.2481  0.2072  0.0477  1.0
  O  O5  4  0.3415  0.7032  0.0457  1.0
]