data_HfCr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   132.07
_cell_angle_beta   132.07
_cell_angle_gamma   70.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Si
_chemical_formula_sum   'Hf1 Cr2 Si1'
_cell_volume   57.34
_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  0.0  0.92  0.94  1.0
  Cr  Cr0  1  0.92  0.0  0.94  1.0
  Cr  Cr1  1  0.0  0.0  0.88  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_HfCr2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   4.73
_cell_angle_alpha   113.97
_cell_angle_beta   113.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Si
_chemical_formula_sum   'Hf1 Cr2 Si1'
_cell_volume   57.34
_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  0.01  0.94  0.01  1.0
  Cr  Cr1  1  0.88  0.88  0.88  1.0
  Cr  Cr2  1  0.94  0.01  0.01  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Hf Cr Cr Si