data_Co2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdSe
_chemical_formula_sum   'Co2 Pd1 Se1'
_cell_volume   55.68
_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  0.43  0.43  0.08  1.0
  Co  Co1  1  0.0  0.0  0.53  1.0
  Pd  Pd2  1  0.43  0.43  0.23  1.0
  Se  Se3  1  0.0  0.0  0.34  1.0

data_Co2PdSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2PdSe
_chemical_formula_sum   'Co4 Pd2 Se2'
_cell_volume   111.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.53  1.0
  Co  Co1  2  0.43  0.0  0.08  1.0
  Pd  Pd2  2  0.43  0.0  0.23  1.0
  Se  Se3  2  0.0  0.0  0.34  1.0

Co Co Pd Se
Co Co Pd Se 0 2 o o o 1 3 o o o 