data_HfCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   133.9
_cell_angle_beta   130.41
_cell_angle_gamma   70.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo3
_chemical_formula_sum   'Hf1 Co3'
_cell_volume   50.03
_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  0.0  0.71  1.0
  Co  Co0  1  0.0  0.9  0.88  1.0
  Co  Co1  1  0.77  0.0  0.84  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_HfCo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.8
_cell_length_c   4.53
_cell_angle_alpha   114.8
_cell_angle_beta   113.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo3
_chemical_formula_sum   'Hf1 Co3'
_cell_volume   50.03
_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  0.71  0.71  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.84  0.06  1.0
  Co  Co3  1  0.1  0.98  0.98  1.0

Hf Co Co Co