data_HfMg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.65
_cell_angle_alpha   99.91
_cell_angle_beta   99.91
_cell_angle_gamma   32.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Cd
_chemical_formula_sum   'Hf1 Mg2 Cd1'
_cell_volume   87.2
_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  0.55  0.0  0.42  1.0
  Mg  Mg2  1  0.33  0.0  0.53  1.0
  Mg  Mg3  1  0.79  0.0  0.19  1.0
  Cd  Cd0  1  0.73  0.0  0.76  1.0

data_HfMg2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.4
_cell_length_c   5.65
_cell_angle_alpha   99.91
_cell_angle_beta   90.0
_cell_angle_gamma   106.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Cd
_chemical_formula_sum   'Hf1 Mg2 Cd1'
_cell_volume   87.2
_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  0.45  0.58  1.0
  Mg  Mg1  1  0.0  0.21  0.81  1.0
  Mg  Mg2  1  0.0  0.67  0.47  1.0
  Cd  Cd3  1  0.0  0.27  0.24  1.0

Hf Mg Mg Cd