data_[Ca2Nd4Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  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 [5.6209]
_cell_length_b [5.9635]
_cell_length_c [9.8164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaNd2RuO6]
_chemical_formula_sum '[Ca2 Nd4 Ru2 O12]'
_cell_volume [272.5999]
_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  0.5000  0.0000  0.0000  1.0
  Nd  Nd1  4  0.2286  0.0664  0.2510  1.0
  Ru  Ru2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1063  0.2123  0.9309  1.0
  O  O4  4  0.2347  0.6835  0.9428  1.0
  O  O5  4  0.3547  0.0502  0.7311  1.0
]