data_HfCr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   143.21
_cell_angle_beta   127.19
_cell_angle_gamma   66.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Co
_chemical_formula_sum   'Hf1 Cr2 Co1'
_cell_volume   55.35
_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  0.0  0.18  0.0  1.0
  Cr  Cr1  1  0.55  0.0  0.07  1.0
  Cr  Cr2  1  0.0  0.0  0.88  1.0
  Co  Co0  1  0.0  0.0  0.26  1.0

data_HfCr2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.36
_cell_length_c   4.9
_cell_angle_alpha   116.4
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Co
_chemical_formula_sum   'Hf1 Cr2 Co1'
_cell_volume   55.35
_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  1.0  0.17  0.17  1.0
  Cr  Cr1  1  0.12  0.12  0.12  1.0
  Cr  Cr2  1  0.48  0.93  0.48  1.0
  Co  Co3  1  0.74  0.74  0.74  1.0

Hf Cr Cr Co
Hf Cr Cr Co 0 2 o o - 0 3 o o o 1 3 + o o 2 3 o o + 