data_LaNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNiSb2
_chemical_formula_sum   'La1 Ni1 Sb2'
_cell_volume   89.44
_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  0.99  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.67  0.67  0.89  1.0
  Sb  Sb3  1  0.67  0.67  0.09  1.0

data_LaNiSb2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.99
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   LaNiSb2
_chemical_formula_sum   'La2 Ni2 Sb4'
_cell_volume   178.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  2  0.5  0.0  0.0  1.0
  Ni  Ni1  2  0.5  0.0  0.0  1.0
  Sb  Sb2  4  0.4  0.0  0.67  1.0

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