data_LaNb2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   6.75
_cell_angle_alpha   93.52
_cell_angle_beta   93.52
_cell_angle_gamma   36.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2In
_chemical_formula_sum   'La1 Nb2 In1'
_cell_volume   96.48
_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  0.04  0.0  0.59  1.0
  Nb  Nb2  1  0.84  0.0  0.32  1.0
  Nb  Nb3  1  0.92  0.0  0.22  1.0
  In  In0  1  0.49  0.0  0.72  1.0

data_LaNb2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.92
_cell_length_c   6.75
_cell_angle_alpha   93.52
_cell_angle_beta   90.0
_cell_angle_gamma   108.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2In
_chemical_formula_sum   'La1 Nb2 In1'
_cell_volume   96.48
_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  0.96  0.41  1.0
  Nb  Nb1  1  0.0  0.08  0.78  1.0
  Nb  Nb2  1  0.0  0.16  0.68  1.0
  In  In3  1  0.0  0.51  0.28  1.0

La Nb Nb In
La Nb Nb In 0 1 - o o 0 3 o o o 0 3 - o o 1 2 o o o 3 3 + - o 