data_HfInCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   121.47
_cell_angle_beta   121.47
_cell_angle_gamma   87.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInCo2
_chemical_formula_sum   'Hf1 In1 Co2'
_cell_volume   60.52
_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  Hf2  1  0.0  0.0  0.21  1.0
  In  In3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.17  0.0  0.6  1.0
  Co  Co1  1  0.0  0.17  0.6  1.0

data_HfInCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   133.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfInCo2
_chemical_formula_sum   'Hf2 In2 Co4'
_cell_volume   121.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.21  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Co  Co2  4  0.41  0.41  0.43  1.0

Hf In Co Co
Hf In Co Co 0 1 o o o 2 3 o o o 