data_Hf2CdMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.15
_cell_angle_alpha   102.2
_cell_angle_beta   102.2
_cell_angle_gamma   33.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdMo
_chemical_formula_sum   'Hf2 Cd1 Mo1'
_cell_volume   79.94
_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  Hf1  1  0.13  0.0  0.91  1.0
  Hf  Hf2  1  0.52  0.0  0.39  1.0
  Cd  Cd0  1  0.61  0.0  0.82  1.0
  Mo  Mo3  1  0.63  0.0  0.44  1.0

data_Hf2CdMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.15
_cell_length_c   5.37
_cell_angle_alpha   102.2
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdMo
_chemical_formula_sum   'Hf2 Cd1 Mo1'
_cell_volume   79.94
_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  0.0  0.39  0.52  1.0
  Hf  Hf1  1  0.0  0.91  0.13  1.0
  Cd  Cd2  1  0.0  0.82  0.61  1.0
  Mo  Mo3  1  0.0  0.44  0.63  1.0

Hf Hf Cd Mo
Hf Hf Cd Mo 0 3 - o o 0 3 o o + 0 0 + - o 0 2 - o o 0 2 o o o 0 1 o o + 1 3 o o o 1 2 o o o 2 3 o o o 