data_[Zr2Pd2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8832]
_cell_length_b [3.8923]
_cell_length_c [9.9015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrPdPbSe3]
_chemical_formula_sum '[Zr2 Pd2 Pb2 Se6]'
_cell_volume [290.8959]
_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
[
  Zr  Zr0  2  0.3135  0.7500  0.8340  1.0
  Pd  Pd1  2  0.0619  0.2500  0.6189  1.0
  Pb  Pb2  2  0.2034  0.2500  0.3174  1.0
  Se  Se3  2  0.0928  0.2500  0.8786  1.0
  Se  Se4  2  0.2788  0.7500  0.5594  1.0
  Se  Se5  2  0.4310  0.7500  0.1339  1.0
]