data_HfCr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   143.33
_cell_angle_beta   130.15
_cell_angle_gamma   63.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Si
_chemical_formula_sum   'Hf1 Cr2 Si1'
_cell_volume   56.38
_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  Hf2  1  0.57  0.0  0.17  1.0
  Cr  Cr0  1  0.57  0.0  0.1  1.0
  Cr  Cr1  1  0.0  0.0  0.96  1.0
  Si  Si3  1  0.0  0.0  0.52  1.0

data_HfCr2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.21
_cell_length_c   5.0
_cell_angle_alpha   114.93
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Si
_chemical_formula_sum   'Hf1 Cr2 Si1'
_cell_volume   56.38
_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  0.4  0.83  0.4  1.0
  Cr  Cr1  1  0.04  0.04  0.04  1.0
  Cr  Cr2  1  0.47  0.9  0.47  1.0
  Si  Si3  1  0.48  0.48  0.48  1.0

Hf Cr Cr Si