data_HfMg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.46
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   92.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Rh
_chemical_formula_sum   'Hf1 Mg2 Rh1'
_cell_volume   76.08
_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  0.42  0.73  0.76  1.0
  Mg  Mg1  1  0.01  0.0  0.02  1.0
  Mg  Mg2  1  0.6  0.73  0.8  1.0
  Rh  Rh3  1  0.12  0.0  0.49  1.0

data_HfMg2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.46
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   92.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Rh
_chemical_formula_sum   'Hf1 Mg2 Rh1'
_cell_volume   76.08
_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  0.42  0.73  0.76  1.0
  Mg  Mg1  1  0.01  0.0  0.02  1.0
  Mg  Mg2  1  0.6  0.73  0.8  1.0
  Rh  Rh3  1  0.12  0.0  0.49  1.0

Hf Mg Mg Rh
Hf Mg Mg Rh 0 2 o o o 0 1 + + + 0 1 o + + 0 3 o + o 1 2 - - - 1 2 o - - 2 3 o + o 