data_HfCr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Co
_chemical_formula_sum   'Hf1 Cr2 Co1'
_cell_volume   57.02
_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  Hf3  1  0.55  0.0  0.0  1.0
  Cr  Cr1  1  0.28  0.89  0.48  1.0
  Cr  Cr2  1  0.28  0.11  0.48  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_HfCr2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   111.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Co
_chemical_formula_sum   'Hf1 Cr2 Co1'
_cell_volume   57.02
_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  0.0  0.55  0.0  1.0
  Cr  Cr1  1  0.48  0.28  0.11  1.0
  Cr  Cr2  1  0.48  0.28  0.89  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Hf Cr Cr Co