data_HfMgTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.21
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgTi2
_chemical_formula_sum   'Hf1 Mg1 Ti2'
_cell_volume   78.69
_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  0.0  0.1  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.51  0.1  0.66  1.0
  Ti  Ti3  1  0.51  0.1  0.54  1.0

data_HfMgTi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.21
_cell_length_b   3.02
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfMgTi2
_chemical_formula_sum   'Hf1 Mg1 Ti2'
_cell_volume   78.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.1  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.1  0.5  0.54  1.0
  Ti  Ti3  1  0.1  0.5  0.66  1.0

Hf Mg Ti Ti
Hf Mg Ti Ti 0 1 o o o 2 3 o o o 