data_HfMn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.18
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   103.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Rh
_chemical_formula_sum   'Hf1 Mn2 Rh1'
_cell_volume   63.48
_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  0.36  0.0  0.58  1.0
  Mn  Mn1  1  0.74  0.09  0.95  1.0
  Mn  Mn2  1  0.92  0.09  0.22  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_HfMn2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.18
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   103.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Rh
_chemical_formula_sum   'Hf1 Mn2 Rh1'
_cell_volume   63.48
_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  0.36  0.0  0.58  1.0
  Mn  Mn1  1  0.74  0.09  0.95  1.0
  Mn  Mn2  1  0.92  0.09  0.22  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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