data_Hf2ScCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.28
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   105.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScCo
_chemical_formula_sum   'Hf2 Sc1 Co1'
_cell_volume   77.76
_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  0.09  0.14  0.04  1.0
  Hf  Hf2  1  0.55  0.14  0.56  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.2  0.0  0.8  1.0

data_Hf2ScCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.28
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   105.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScCo
_chemical_formula_sum   'Hf2 Sc1 Co1'
_cell_volume   77.76
_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  0.09  0.14  0.04  1.0
  Hf  Hf1  1  0.55  0.14  0.56  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.2  0.0  0.8  1.0

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