data_[Ti4Ru2Pb2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7779]
_cell_length_b [6.6491]
_cell_length_c [6.3375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2RuPbO8]
_chemical_formula_sum '[Ti4 Ru2 Pb2 O16]'
_cell_volume [285.5910]
_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
[
  Ti  Ti0  4  0.0239  0.5000  0.7542  1.0
  Ru  Ru1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0012  0.2043  0.7746  1.0
  O  O4  4  0.1744  0.5000  0.5088  1.0
  O  O5  4  0.1998  0.5000  0.9931  1.0
]