data_Hf2MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   149.19
_cell_angle_beta   127.86
_cell_angle_gamma   61.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgTi
_chemical_formula_sum   'Hf2 Mg1 Ti1'
_cell_volume   84.1
_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  0.58  0.0  0.65  1.0
  Hf  Hf1  1  0.0  0.61  0.45  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.1  1.0

data_Hf2MgTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.22
_cell_length_c   5.94
_cell_angle_alpha   116.07
_cell_angle_beta   105.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgTi
_chemical_formula_sum   'Hf2 Mg1 Ti1'
_cell_volume   84.1
_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  0.65  0.07  1.0
  Hf  Hf1  1  0.39  0.84  0.84  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.1  0.1  1.0

Hf Hf Mg Ti