data_NbCd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Te
_chemical_formula_sum   'Nb1 Cd2 Te1'
_cell_volume   88.41
_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  Nb2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.43  0.58  0.59  1.0
  Cd  Cd1  1  0.43  0.42  0.59  1.0
  Te  Te3  1  0.86  0.0  0.0  1.0

data_NbCd2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   118.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Te
_chemical_formula_sum   'Nb1 Cd2 Te1'
_cell_volume   88.41
_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  0.59  0.43  0.58  1.0
  Cd  Cd2  1  0.59  0.43  0.42  1.0
  Te  Te3  1  0.0  0.86  0.0  1.0

Nb Cd Cd Te