data_HfTi2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.88
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Co
_chemical_formula_sum   'Hf1 Ti2 Co1'
_cell_volume   66.09
_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  Hf1  1  0.51  0.94  0.03  1.0
  Ti  Ti2  1  0.09  0.0  0.21  1.0
  Ti  Ti3  1  0.54  0.94  0.45  1.0
  Co  Co0  1  0.37  0.0  0.65  1.0

data_HfTi2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.88
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Co
_chemical_formula_sum   'Hf1 Ti2 Co1'
_cell_volume   66.09
_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  0.51  0.94  0.03  1.0
  Ti  Ti1  1  0.09  0.0  0.21  1.0
  Ti  Ti2  1  0.54  0.94  0.45  1.0
  Co  Co3  1  0.37  0.0  0.65  1.0

Hf Ti Ti Co
Hf Ti Ti Co 0 3 o + - 0 1 o + o 0 1 + + o 1 2 o - o 2 3 o + o 