data_HfMnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.45
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnPd2
_chemical_formula_sum   'Hf1 Mn1 Pd2'
_cell_volume   65.87
_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
  Hf  Hf0  1  0.66  0.73  0.83  1.0
  Mn  Mn1  1  0.0  0.0  0.43  1.0
  Pd  Pd2  1  0.66  0.73  0.64  1.0
  Pd  Pd3  1  0.0  0.0  0.47  1.0

data_HfMnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.45
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnPd2
_chemical_formula_sum   'Hf1 Mn1 Pd2'
_cell_volume   65.87
_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
  Hf  Hf0  1  0.66  0.73  0.83  1.0
  Mn  Mn1  1  0.0  0.0  0.43  1.0
  Pd  Pd2  1  0.0  0.0  0.47  1.0
  Pd  Pd3  1  0.66  0.73  0.64  1.0

Hf Mn Pd Pd
Hf Mn Pd Pd 0 2 o o o 1 3 o o o 