data_LaHfSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.96
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   99.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfSb2
_chemical_formula_sum   'La1 Hf1 Sb2'
_cell_volume   106.06
_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  La1  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.37  0.0  0.89  1.0
  Sb  Sb2  1  0.46  0.98  0.16  1.0
  Sb  Sb3  1  0.71  0.98  0.62  1.0

data_LaHfSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.96
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   99.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfSb2
_chemical_formula_sum   'La1 Hf1 Sb2'
_cell_volume   106.06
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.37  0.0  0.89  1.0
  Sb  Sb2  1  0.46  0.98  0.16  1.0
  Sb  Sb3  1  0.71  0.98  0.62  1.0

La Hf Sb Sb
La Hf Sb Sb 0 2 o - o 0 1 o o - 0 3 - - - 1 2 o - + 1 3 o - o 1 3 - - o 