data_HfMgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.34
_cell_length_c   2.98
_cell_angle_alpha   78.59
_cell_angle_beta   78.02
_cell_angle_gamma   23.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgTi
_chemical_formula_sum   'Hf1 Mg1 Ti1'
_cell_volume   62.54
_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  0.08  0.13  0.19  1.0
  Mg  Mg1  1  0.08  0.13  0.64  1.0
  Ti  Ti2  1  0.08  0.13  0.26  1.0

data_HfMgTi
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.98
_cell_length_b   14.08
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   HfMgTi
_chemical_formula_sum   'Hf2 Mg2 Ti2'
_cell_volume   125.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.27  1.0
  Mg  Mg1  2  0.0  0.5  0.72  1.0
  Ti  Ti2  2  0.0  0.5  0.34  1.0

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