data_[Y8Pb4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1242]
_cell_length_b [13.5784]
_cell_length_c [14.2802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y2PbSe4]
_chemical_formula_sum '[Y8 Pb4 Se16]'
_cell_volume [799.6933]
_cell_formula_units_Z [4]
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
[
  Y  Y0  8  0.0000  0.1364  0.0665  1.0
  Pb  Pb1  4  0.0000  0.3959  0.2500  1.0
  Se  Se2  8  0.0000  0.2298  0.6149  1.0
  Se  Se3  4  0.0000  0.0498  0.2500  1.0
  Se  Se4  4  0.0000  0.5000  0.0000  1.0
]