data_HfMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.0
_cell_length_b   10.0
_cell_length_c   10.0
_cell_angle_alpha   16.95
_cell_angle_beta   16.95
_cell_angle_gamma   16.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnCd2
_chemical_formula_sum   'Hf1 Mn1 Cd2'
_cell_volume   74.1
_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  0.78  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.62  1.0
  Cd  Cd1  1  0.0  0.0  0.94  1.0

data_HfMnCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   2.95
_cell_length_c   10.0
_cell_angle_alpha   90.0
_cell_angle_beta   99.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMnCd2
_chemical_formula_sum   'Hf2 Mn2 Cd4'
_cell_volume   148.21
_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  0.22  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  2  0.0  0.0  0.06  1.0
  Cd  Cd3  2  0.0  0.0  0.38  1.0

Hf Mn Cd Cd
Hf Mn Cd Cd 0 2 o o o 0 3 o o o 1 3 o o - 