data_HfSn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   3.16
_cell_angle_alpha   99.55
_cell_angle_beta   99.55
_cell_angle_gamma   110.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2Mo
_chemical_formula_sum   'Hf1 Sn2 Mo1'
_cell_volume   82.18
_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  0.07  0.0  0.0  1.0
  Sn  Sn2  1  0.07  0.79  0.51  1.0
  Sn  Sn3  1  0.07  0.21  0.51  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_HfSn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   110.55
_cell_angle_beta   99.55
_cell_angle_gamma   99.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2Mo
_chemical_formula_sum   'Hf1 Sn2 Mo1'
_cell_volume   82.18
_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  -0.0  0.07  0.0  1.0
  Sn  Sn1  1  0.51  0.07  0.21  1.0
  Sn  Sn2  1  0.51  0.07  0.79  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Hf Sn Sn Mo
Hf Sn Sn Mo 0 3 o o o 0 1 o - o 0 1 o - - 0 2 o o o 0 2 o o - 1 3 o + o 1 3 o + + 2 3 o o o 2 3 o o + 