data_HfScCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   146.29
_cell_angle_beta   129.92
_cell_angle_gamma   61.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScCr2
_chemical_formula_sum   'Hf1 Sc1 Cr2'
_cell_volume   67.17
_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  0.29  0.55  1.0
  Sc  Sc3  1  0.0  0.0  0.46  1.0
  Cr  Cr0  1  0.0  0.29  0.34  1.0
  Cr  Cr1  1  0.0  0.0  0.62  1.0

data_HfScCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.59
_cell_length_c   5.42
_cell_angle_alpha   115.04
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScCr2
_chemical_formula_sum   'Hf1 Sc1 Cr2'
_cell_volume   67.17
_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  0.45  0.75  0.75  1.0
  Sc  Sc1  1  0.54  0.54  0.54  1.0
  Cr  Cr2  1  0.38  0.38  0.38  1.0
  Cr  Cr3  1  0.66  0.96  0.96  1.0

Hf Sc Cr Cr