data_NbCdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdIn2
_chemical_formula_sum   'Nb1 Cd1 In2'
_cell_volume   89.53
_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  Nb3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.59  1.0
  In  In1  1  0.56  0.56  0.92  1.0
  In  In2  1  0.56  0.56  0.26  1.0

data_NbCdIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCdIn2
_chemical_formula_sum   'Nb2 Cd2 In4'
_cell_volume   179.06
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.59  1.0
  In  In2  2  0.06  0.5  0.26  1.0
  In  In3  2  0.06  0.5  0.92  1.0

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