data_HfZrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.81
_cell_angle_alpha   103.17
_cell_angle_beta   103.17
_cell_angle_gamma   31.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrSi2
_chemical_formula_sum   'Hf1 Zr1 Si2'
_cell_volume   71.06
_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  0.37  0.0  0.84  1.0
  Zr  Zr3  1  0.74  0.0  0.66  1.0
  Si  Si1  1  0.14  0.0  0.23  1.0
  Si  Si2  1  0.97  0.0  0.27  1.0

data_HfZrSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.81
_cell_length_c   5.39
_cell_angle_alpha   103.17
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrSi2
_chemical_formula_sum   'Hf1 Zr1 Si2'
_cell_volume   71.06
_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  0.84  0.37  1.0
  Zr  Zr1  1  0.0  0.66  0.74  1.0
  Si  Si2  1  0.0  0.23  0.14  1.0
  Si  Si3  1  0.0  0.27  0.97  1.0

Hf Zr Si Si