data_LaNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   4.18
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   91.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi2Sb
_chemical_formula_sum   'La1 Ni2 Sb1'
_cell_volume   85.29
_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  0.83  0.0  0.71  1.0
  Ni  Ni1  1  0.92  0.09  0.96  1.0
  Ni  Ni2  1  0.73  0.09  0.46  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_LaNi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.18
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   91.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi2Sb
_chemical_formula_sum   'La1 Ni2 Sb1'
_cell_volume   85.29
_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  0.83  0.0  0.71  1.0
  Ni  Ni1  1  0.73  0.09  0.46  1.0
  Ni  Ni2  1  0.92  0.09  0.96  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

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