data_[Sr4Cu2Ru4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0656]
_cell_length_b [4.6559]
_cell_length_c [4.9268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2CuRu2]
_chemical_formula_sum '[Sr4 Cu2 Ru4]'
_cell_volume [227.6452]
_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  4  0.1925  0.0000  0.6875  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Ru  Ru2  4  0.0072  0.5000  0.7526  1
]