data_[Ru2Pb4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6120]
_cell_length_b [3.2041]
_cell_length_c [6.0664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RuPb2Se]
_chemical_formula_sum '[Ru2 Pb4 Se2]'
_cell_volume [204.1856]
_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
[
  Ru  Ru0  2  0.4807  0.0000  0.4191  1
  Pb  Pb1  2  0.0071  0.0000  0.0535  1
  Pb  Pb2  2  0.2036  0.0000  0.6970  1
  Se  Se3  2  0.3086  0.5000  0.3304  1
]