data_La2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   143.47
_cell_angle_beta   135.05
_cell_angle_gamma   59.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiSb
_chemical_formula_sum   'La2 Ni1 Sb1'
_cell_volume   102.47
_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  0.83  1.0
  La  La1  1  0.96  0.0  0.09  1.0
  Ni  Ni2  1  0.0  0.0  0.7  1.0
  Sb  Sb3  1  0.0  0.4  0.17  1.0

data_La2NiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.79
_cell_length_c   6.27
_cell_angle_alpha   112.48
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiSb
_chemical_formula_sum   'La2 Ni1 Sb1'
_cell_volume   102.47
_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  0.09  0.13  1.0
  La  La1  1  0.0  0.83  0.83  1.0
  Ni  Ni2  1  0.0  0.7  0.7  1.0
  Sb  Sb3  1  0.6  0.77  0.77  1.0

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