data_Hf2CdMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   2.93
_cell_angle_alpha   100.99
_cell_angle_beta   100.99
_cell_angle_gamma   114.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdMo
_chemical_formula_sum   'Hf2 Cd1 Mo1'
_cell_volume   78.92
_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  0.01  0.64  0.37  1.0
  Hf  Hf2  1  0.01  0.36  0.37  1.0
  Cd  Cd0  1  0.05  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Hf2CdMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   114.23
_cell_angle_beta   100.99
_cell_angle_gamma   100.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdMo
_chemical_formula_sum   'Hf2 Cd1 Mo1'
_cell_volume   78.92
_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  0.37  0.01  0.36  1.0
  Hf  Hf1  1  0.37  0.01  0.64  1.0
  Cd  Cd2  1  -0.0  0.05  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Hf Hf Cd Mo