data_HfSc2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.64
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Cr
_chemical_formula_sum   'Hf1 Sc2 Cr1'
_cell_volume   78.76
_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  0.26  0.0  0.78  1.0
  Sc  Sc2  1  0.74  0.32  0.27  1.0
  Sc  Sc3  1  0.83  0.32  0.28  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_HfSc2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.64
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Cr
_chemical_formula_sum   'Hf1 Sc2 Cr1'
_cell_volume   78.76
_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  0.26  0.0  0.78  1.0
  Sc  Sc1  1  0.74  0.32  0.27  1.0
  Sc  Sc2  1  0.83  0.32  0.28  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Hf Sc Sc Cr