data_FePd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   145.81
_cell_angle_beta   129.96
_cell_angle_gamma   62.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd2Se
_chemical_formula_sum   'Fe1 Pd2 Se1'
_cell_volume   61.95
_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
  Fe  Fe0  1  0.0  0.0  0.58  1.0
  Pd  Pd1  1  0.0  0.22  0.41  1.0
  Pd  Pd2  1  0.0  0.0  0.4  1.0
  Se  Se3  1  0.0  0.22  0.13  1.0

data_FePd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.45
_cell_length_c   5.26
_cell_angle_alpha   115.02
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd2Se
_chemical_formula_sum   'Fe1 Pd2 Se1'
_cell_volume   61.95
_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
  Fe  Fe0  1  0.42  0.42  0.42  1.0
  Pd  Pd1  1  0.59  0.81  0.81  1.0
  Pd  Pd2  1  0.6  0.6  0.6  1.0
  Se  Se3  1  0.87  0.09  0.09  1.0

Fe Pd Pd Se