data_HfFe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.98
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Co
_chemical_formula_sum   'Hf1 Fe2 Co1'
_cell_volume   55.3
_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  0.72  0.0  0.48  1.0
  Fe  Fe1  1  0.87  0.99  0.11  1.0
  Fe  Fe2  1  0.58  0.99  0.85  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_HfFe2Co
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.8
_cell_length_b   3.98
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfFe2Co
_chemical_formula_sum   'Hf1 Fe2 Co1'
_cell_volume   55.3
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.72  0.0  0.48  1.0
  Fe  Fe1  1  0.58  0.0  0.85  1.0
  Fe  Fe2  1  0.87  0.0  0.11  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

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