data_NbCdAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdAs2
_chemical_formula_sum   'Nb1 Cd1 As2'
_cell_volume   73.88
_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  Cd2  1  0.25  0.0  0.0  1.0
  As  As0  1  0.62  0.64  0.73  1.0
  As  As1  1  0.62  0.36  0.73  1.0

data_NbCdAs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.47
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbCdAs2
_chemical_formula_sum   'Nb1 Cd1 As2'
_cell_volume   73.88
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.25  1.0
  As  As2  2  0.73  0.36  0.62  1.0

Nb Cd As As
Nb Cd As As 0 1 o o o 2 3 o o o 