data_Nb4In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   95.61
_cell_angle_beta   95.61
_cell_angle_gamma   143.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4In
_chemical_formula_sum   'Nb4 In1'
_cell_volume   94.67
_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
  Nb  Nb1  1  0.9  0.38  0.0  1.0
  Nb  Nb2  1  0.38  0.51  0.0  1.0
  Nb  Nb3  1  0.8  0.32  0.72  1.0
  Nb  Nb4  1  0.32  0.2  0.72  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Nb4In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   84.39
_cell_angle_beta   71.78
_cell_angle_gamma   71.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4In
_chemical_formula_sum   'Nb4 In1'
_cell_volume   94.67
_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
  Nb  Nb0  1  0.38  -0.0  0.52  1.0
  Nb  Nb1  1  0.47  0.72  0.12  1.0
  Nb  Nb2  1  0.51  -0.0  0.88  1.0
  Nb  Nb3  1  0.6  0.72  0.48  1.0
  In  In4  1  0.0  0.0  0.0  1.0

Nb Nb Nb Nb In