data_LaNb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   154.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb5
_chemical_formula_sum   'La1 Nb5'
_cell_volume   118.55
_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  0.68  0.0  0.38  1.0
  Nb  Nb1  1  0.68  0.2  0.38  1.0
  Nb  Nb2  1  0.68  0.8  0.38  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Nb  Nb4  1  0.68  0.54  0.0  1.0
  Nb  Nb5  1  0.68  0.46  0.0  1.0

data_LaNb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.77
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   102.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb5
_chemical_formula_sum   'La1 Nb5'
_cell_volume   118.55
_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  0.62  0.32  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.2  0.62  0.52  1.0
  Nb  Nb3  1  0.46  0.0  0.78  1.0
  Nb  Nb4  1  0.54  0.0  0.87  1.0
  Nb  Nb5  1  0.8  0.62  0.13  1.0

La Nb Nb Nb Nb Nb
La Nb Nb Nb Nb Nb 0 1 o o o 0 2 o - o 3 4 - - o 4 5 o o o 