data_NbCd2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   134.6
_cell_angle_beta   134.6
_cell_angle_gamma   66.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2In
_chemical_formula_sum   'Nb1 Cd2 In1'
_cell_volume   83.49
_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  0.13  0.0  0.31  1.0
  Cd  Cd1  1  0.0  0.0  0.62  1.0
  In  In2  1  0.0  0.13  0.31  1.0

data_NbCd2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.51
_cell_angle_alpha   112.7
_cell_angle_beta   112.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2In
_chemical_formula_sum   'Nb1 Cd2 In1'
_cell_volume   83.49
_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  0.31  0.18  0.18  1.0
  Cd  Cd2  1  0.62  0.62  0.62  1.0
  In  In3  1  0.18  0.31  0.18  1.0

Nb Cd Cd In