data_Hf2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   138.08
_cell_angle_beta   138.08
_cell_angle_gamma   60.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuSi
_chemical_formula_sum   'Hf2 Cu1 Si1'
_cell_volume   69.33
_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  0.0  0.0  0.65  1.0
  Hf  Hf2  1  0.0  0.93  0.33  1.0
  Cu  Cu0  1  0.93  0.0  0.33  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Hf2CuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.39
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuSi
_chemical_formula_sum   'Hf2 Cu1 Si1'
_cell_volume   69.33
_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  0.35  0.0  0.35  1.0
  Hf  Hf1  1  0.6  0.93  0.6  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.67  0.0  0.6  1.0

Hf Hf Cu Si
Hf Hf Cu Si 0 2 - o o 0 1 o - o 0 3 o o + 1 2 - + o 1 3 o + o 2 3 + o o 