data_[Sr2Ca2Y2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.7046]
_cell_length_b [5.8704]
_cell_length_c [9.9362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [SrCaYRuO6]
_chemical_formula_sum '[Sr2 Ca2 Y2 Ru2 O12]'
_cell_volume [273.3891]
_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
[
  Sr  Sr0  2  0.2406  0.2078  0.2501  1.0
  Ca  Ca1  2  0.7591  0.3034  0.7462  1.0
  Y  Y2  2  0.4985  0.2475  0.9986  1.0
  Ru  Ru3  2  0.0002  0.2502  0.5004  1.0
  O  O4  2  0.1224  0.0361  0.9462  1.0
  O  O5  2  0.2349  0.4448  0.4585  1.0
  O  O6  2  0.3375  0.2218  0.7330  1.0
  O  O7  2  0.6862  0.2891  0.2668  1.0
  O  O8  2  0.7639  0.0663  0.5498  1.0
  O  O9  2  0.8568  0.4777  0.0506  1.0
]