data_LaHfCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   37.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfCo2
_chemical_formula_sum   'La1 Hf1 Co2'
_cell_volume   74.59
_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
  La  La3  1  0.0  0.0  0.21  1.0
  Hf  Hf2  1  0.05  0.0  0.06  1.0
  Co  Co0  1  0.05  0.0  0.95  1.0
  Co  Co1  1  0.0  0.0  0.48  1.0

data_LaHfCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.09
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   108.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfCo2
_chemical_formula_sum   'La1 Hf1 Co2'
_cell_volume   74.59
_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
  La  La0  1  0.79  0.0  0.79  1.0
  Hf  Hf1  1  0.94  0.05  0.94  1.0
  Co  Co2  1  0.05  0.05  0.05  1.0
  Co  Co3  1  0.52  0.0  0.52  1.0

La Hf Co Co