data_NbCdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   3.13
_cell_angle_alpha   100.29
_cell_angle_beta   100.29
_cell_angle_gamma   116.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdIn2
_chemical_formula_sum   'Nb1 Cd1 In2'
_cell_volume   93.27
_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  0.14  0.0  0.0  1.0
  In  In1  1  0.04  0.47  0.47  1.0
  In  In2  1  0.04  0.53  0.47  1.0

data_NbCdIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   116.4
_cell_angle_beta   100.29
_cell_angle_gamma   100.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdIn2
_chemical_formula_sum   'Nb1 Cd1 In2'
_cell_volume   93.27
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.14  0.0  1.0
  In  In2  1  0.47  0.04  0.53  1.0
  In  In3  1  0.47  0.04  0.47  1.0

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