data_CoPd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.65
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPd2Se
_chemical_formula_sum   'Co1 Pd2 Se1'
_cell_volume   60.68
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.48  0.82  0.34  1.0
  Pd  Pd2  1  0.48  0.82  0.27  1.0
  Se  Se3  1  0.0  0.0  0.81  1.0

data_CoPd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.65
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPd2Se
_chemical_formula_sum   'Co1 Pd2 Se1'
_cell_volume   60.68
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.48  0.82  0.27  1.0
  Pd  Pd2  1  0.48  0.82  0.34  1.0
  Se  Se3  1  0.0  0.0  0.81  1.0

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