data_Pd2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   3.81
_cell_angle_alpha   108.6
_cell_angle_beta   108.6
_cell_angle_gamma   112.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2PbSe
_chemical_formula_sum   'Pd2 Pb1 Se1'
_cell_volume   82.7
_cell_formula_units_Z   1
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
  Pd  Pd1  1  0.39  0.77  0.56  1.0
  Pd  Pd2  1  0.39  0.23  0.56  1.0
  Pb  Pb0  1  0.98  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Pd2PbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.89
_cell_length_c   5.36
_cell_angle_alpha   115.31
_cell_angle_beta   108.6
_cell_angle_gamma   94.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2PbSe
_chemical_formula_sum   'Pd2 Pb1 Se1'
_cell_volume   82.7
_cell_formula_units_Z   1
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
  Pd  Pd0  1  0.33  0.77  0.17  1.0
  Pd  Pd1  1  0.79  0.23  0.62  1.0
  Pb  Pb2  1  -0.0  0.0  0.98  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Pd Pd Pb Se