data_[Sr2Cu2Ru4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6706]
_cell_length_b [6.3206]
_cell_length_c [7.0219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCu(RuO4)2]
_chemical_formula_sum '[Sr2 Cu2 Ru4 O16]'
_cell_volume [331.6103]
_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  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  4  0.0653  0.5000  0.7454  1.0
  O  O3  8  0.0266  0.2451  0.2241  1.0
  O  O4  4  0.1703  0.5000  0.5354  1.0
  O  O5  4  0.2496  0.5000  0.9608  1.0
]