data_ZnPdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   4.74
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   105.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPdSe2
_chemical_formula_sum   'Zn1 Pd1 Se2'
_cell_volume   77.56
_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
  Zn  Zn3  1  0.43  0.0  0.1  1.0
  Pd  Pd0  1  0.56  0.37  0.02  1.0
  Se  Se1  1  0.37  0.0  0.41  1.0
  Se  Se2  1  0.56  0.37  0.82  1.0

data_ZnPdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.39
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPdSe2
_chemical_formula_sum   'Zn1 Pd1 Se2'
_cell_volume   77.56
_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
  Zn  Zn0  1  0.57  0.9  0.0  1.0
  Pd  Pd1  1  0.44  0.98  0.63  1.0
  Se  Se2  1  0.44  0.18  0.63  1.0
  Se  Se3  1  0.63  0.59  0.0  1.0

Zn Pd Se Se