data_Nb5In24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   9.7
_cell_length_c   9.7
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5In24
_chemical_formula_sum   'Nb5 In24'
_cell_volume   702.68
_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  Nb24  1  0.84  0.16  0.84  1.0
  Nb  Nb25  1  0.16  0.84  0.84  1.0
  Nb  Nb26  1  0.84  0.84  0.16  1.0
  Nb  Nb27  1  0.76  0.76  0.76  1.0
  Nb  Nb28  1  0.0  0.0  0.0  1.0
  In  In0  1  0.03  0.97  0.13  1.0
  In  In1  1  0.97  0.03  0.13  1.0
  In  In2  1  0.03  0.03  0.07  1.0
  In  In3  1  0.58  0.58  0.47  1.0
  In  In4  1  0.03  0.07  0.03  1.0
  In  In5  1  0.58  0.47  0.58  1.0
  In  In6  1  0.97  0.13  0.03  1.0
  In  In7  1  0.03  0.13  0.97  1.0
  In  In8  1  0.13  0.97  0.03  1.0
  In  In9  1  0.13  0.03  0.97  1.0
  In  In10  1  0.47  0.58  0.58  1.0
  In  In11  1  0.07  0.03  0.03  1.0
  In  In12  1  0.44  0.56  0.29  1.0
  In  In13  1  0.56  0.44  0.29  1.0
  In  In14  1  0.04  0.04  0.31  1.0
  In  In15  1  0.56  0.56  0.92  1.0
  In  In16  1  0.04  0.31  0.04  1.0
  In  In17  1  0.56  0.92  0.56  1.0
  In  In18  1  0.56  0.29  0.44  1.0
  In  In19  1  0.44  0.29  0.56  1.0
  In  In20  1  0.29  0.56  0.44  1.0
  In  In21  1  0.29  0.44  0.56  1.0
  In  In22  1  0.92  0.56  0.56  1.0
  In  In23  1  0.31  0.04  0.04  1.0

data_Nb5In24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   15.84
_cell_length_b   15.84
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nb5In24
_chemical_formula_sum   'Nb15 In72'
_cell_volume   2108.04
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.22  0.11  0.95  1.0
  Nb  Nb1  3  0.0  0.0  0.0  1.0
  Nb  Nb2  3  0.0  0.0  0.76  1.0
  In  In3  18  0.01  0.14  0.43  1.0
  In  In4  18  0.09  0.02  0.04  1.0
  In  In5  9  0.03  0.02  0.04  1.0
  In  In6  9  0.03  0.07  0.54  1.0
  In  In7  9  0.18  0.09  0.13  1.0
  In  In8  9  0.21  0.43  0.34  1.0

Nb Nb Nb Nb Nb In In In In In In In In In In In In In In In In In In In In In In In In
Nb Nb Nb Nb Nb In In In In In In In In In In In In In In In In In In In In In In In In 0 12 + o o 0 11 o o + 0 21 + o + 0 22 o - o 1 14 o + o 1 13 o o + 1 28 o + + 1 27 - o o 2 5 + o o 2 6 o + o 2 19 + + o 2 20 o o - 3 15 o o o 3 10 o o o 3 8 o o o 3 16 + + + 3 9 + + + 3 7 + + + 3 4 + + + 3 20 o o o 3 22 o o o 3 27 o o o 4 9 o o o 4 16 o o o 4 7 o o o 5 7 o + o 5 6 - + o 5 19 o + o 6 7 + o o 6 19 + o o 8 17 o o o 8 15 o o o 8 18 o o o 8 10 o o o 8 22 o o o 8 27 o o o 9 11 - o o 9 12 o o - 10 24 o o o 10 15 o o o 10 23 o o o 10 20 o o o 10 27 o o o 11 12 + o - 11 21 + o o 12 21 o o + 13 14 o + - 13 16 o + o 13 28 o + o 14 16 o o + 14 28 o o + 15 25 o o o 15 26 o o o 15 20 o o o 15 22 o o o 17 18 o o o 17 22 o o o 18 27 o o o 20 26 o o o 20 24 o o o 22 25 o o o 23 24 o o o 23 27 o o o 25 26 o o o 