data_HfZrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.79
_cell_angle_alpha   104.29
_cell_angle_beta   104.29
_cell_angle_gamma   49.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrCo2
_chemical_formula_sum   'Hf1 Zr1 Co2'
_cell_volume   67.12
_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  0.81  0.0  0.78  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.99  0.0  0.45  1.0
  Co  Co1  1  0.63  0.0  0.12  1.0

data_HfZrCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.97
_cell_length_c   5.79
_cell_angle_alpha   104.29
_cell_angle_beta   90.0
_cell_angle_gamma   114.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrCo2
_chemical_formula_sum   'Hf1 Zr1 Co2'
_cell_volume   67.12
_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  0.19  0.22  1.0
  Zr  Zr1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.01  0.55  1.0
  Co  Co3  1  0.0  0.37  0.88  1.0

Hf Zr Co Co