data_[Ru4Pb2Se2]
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 [8.6140]
_cell_length_b [3.1215]
_cell_length_c [5.8037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ru2PbSe]
_chemical_formula_sum '[Ru4 Pb2 Se2]'
_cell_volume [154.0102]
_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  0.2479  0.0000  0.6630  1
  Ru  Ru1  2  0.4836  0.5000  0.9630  1
  Pb  Pb2  2  0.2390  0.5000  0.2148  1
  Se  Se3  2  0.0295  0.5000  0.6591  1
]