data_La2HfCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   3.8
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfCo
_chemical_formula_sum   'La2 Hf1 Co1'
_cell_volume   99.81
_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  La2  1  0.32  0.9  0.29  1.0
  La  La3  1  0.4  0.9  0.84  1.0
  Hf  Hf1  1  0.21  0.0  0.06  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_La2HfCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.28
_cell_length_c   6.33
_cell_angle_alpha   104.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfCo
_chemical_formula_sum   'La2 Hf1 Co1'
_cell_volume   99.81
_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  0.1  0.6  0.16  1.0
  La  La1  1  0.1  0.68  0.71  1.0
  Hf  Hf2  1  0.0  0.79  0.94  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

La La Hf Co
La La Hf Co 0 2 o + o 1 3 o + + 1 2 o + + 2 3 o o o 