data_HfMn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.06
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   102.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Cd
_chemical_formula_sum   'Hf1 Mn2 Cd1'
_cell_volume   67.93
_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  0.69  0.03  0.43  1.0
  Mn  Mn2  1  0.36  0.0  0.1  1.0
  Mn  Mn3  1  0.8  0.03  0.26  1.0
  Cd  Cd0  1  0.18  0.0  0.67  1.0

data_HfMn2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.06
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   102.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Cd
_chemical_formula_sum   'Hf1 Mn2 Cd1'
_cell_volume   67.93
_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  0.69  0.03  0.43  1.0
  Mn  Mn1  1  0.36  0.0  0.1  1.0
  Mn  Mn2  1  0.8  0.03  0.26  1.0
  Cd  Cd3  1  0.18  0.0  0.67  1.0

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