data_Hf2ScMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   2.98
_cell_angle_alpha   100.81
_cell_angle_beta   100.81
_cell_angle_gamma   115.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScMo
_chemical_formula_sum   'Hf2 Sc1 Mo1'
_cell_volume   80.32
_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  0.98  0.39  0.39  1.0
  Hf  Hf1  1  0.98  0.61  0.39  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.01  0.0  0.0  1.0

data_Hf2ScMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   115.68
_cell_angle_beta   100.81
_cell_angle_gamma   100.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScMo
_chemical_formula_sum   'Hf2 Sc1 Mo1'
_cell_volume   80.32
_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  0.39  0.98  0.61  1.0
  Hf  Hf1  1  0.39  0.98  0.39  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  -0.0  0.01  0.0  1.0

Hf Hf Sc Mo
Hf Hf Sc Mo 0 1 o o o 2 3 o o o 