data_HfCd2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.61
_cell_length_b   10.61
_cell_length_c   10.61
_cell_angle_alpha   17.25
_cell_angle_beta   17.25
_cell_angle_gamma   17.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2In
_chemical_formula_sum   'Hf1 Cd2 In1'
_cell_volume   91.59
_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  Hf2  1  0.0  0.0  0.67  1.0
  Cd  Cd0  1  0.0  0.0  0.78  1.0
  Cd  Cd1  1  0.0  0.0  0.56  1.0
  In  In3  1  0.0  0.0  0.0  1.0

data_HfCd2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   99.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCd2In
_chemical_formula_sum   'Hf2 Cd4 In2'
_cell_volume   183.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.33  1.0
  Cd  Cd1  2  0.0  0.0  0.22  1.0
  Cd  Cd2  2  0.0  0.0  0.44  1.0
  In  In3  2  0.0  0.0  0.0  1.0

Hf Cd Cd In
Hf Cd Cd In 0 2 o o o 0 1 o o o 1 3 o o + 