data_HfZn2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   134.72
_cell_angle_beta   134.72
_cell_angle_gamma   65.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Cr
_chemical_formula_sum   'Hf1 Zn2 Cr1'
_cell_volume   62.49
_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  0.93  0.0  0.1  1.0
  Zn  Zn2  1  0.0  0.0  0.2  1.0
  Zn  Zn3  1  0.0  0.93  0.1  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_HfZn2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.01
_cell_angle_alpha   112.64
_cell_angle_beta   112.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Cr
_chemical_formula_sum   'Hf1 Zn2 Cr1'
_cell_volume   62.49
_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  0.1  0.17  0.17  1.0
  Zn  Zn1  1  0.17  0.1  0.17  1.0
  Zn  Zn2  1  0.2  0.2  0.2  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Hf Zn Zn Cr