data_Co2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.31
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   36.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdSe
_chemical_formula_sum   'Co2 Pd1 Se1'
_cell_volume   55.75
_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
  Co  Co0  1  0.17  0.0  0.02  1.0
  Co  Co1  1  0.36  0.0  0.88  1.0
  Pd  Pd2  1  0.76  0.0  0.95  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Co2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.31
_cell_length_c   4.93
_cell_angle_alpha   114.07
_cell_angle_beta   108.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdSe
_chemical_formula_sum   'Co2 Pd1 Se1'
_cell_volume   55.75
_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
  Co  Co0  1  0.0  0.02  0.17  1.0
  Co  Co1  1  0.0  0.88  0.36  1.0
  Pd  Pd2  1  0.0  0.95  0.76  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Co Co Pd Se