data_NaCd2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2As
_chemical_formula_sum   'Na1 Cd2 As1'
_cell_volume   91.74
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.48  0.61  0.62  1.0
  Cd  Cd2  1  0.48  0.39  0.62  1.0
  As  As0  1  0.95  0.0  0.0  1.0

data_NaCd2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   116.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2As
_chemical_formula_sum   'Na1 Cd2 As1'
_cell_volume   91.74
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.62  0.48  0.39  1.0
  Cd  Cd2  1  0.62  0.48  0.61  1.0
  As  As3  1  0.0  0.95  0.0  1.0

Na Cd Cd As
Na Cd Cd As 0 3 - o o 1 2 o o o 