data_CdAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAs3
_chemical_formula_sum   'Cd2 As6'
_cell_volume   161.15
_cell_formula_units_Z   2
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
  Cd  Cd6  1  0.0  0.54  0.23  1.0
  Cd  Cd7  1  0.07  0.77  0.7  1.0
  As  As0  1  0.0  0.76  0.7  1.0
  As  As1  1  0.54  0.43  0.7  1.0
  As  As2  1  0.46  0.43  0.7  1.0
  As  As3  1  0.07  0.55  0.23  1.0
  As  As4  1  0.53  0.88  0.23  1.0
  As  As5  1  0.61  0.88  0.23  1.0

data_CdAs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.94
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdAs3
_chemical_formula_sum   'Cd2 As6'
_cell_volume   161.15
_cell_formula_units_Z   2
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
  Cd  Cd0  2  0.23  0.03  0.61  1.0
  As  As1  2  0.23  0.42  0.28  1.0
  As  As2  2  0.23  0.51  0.28  1.0
  As  As3  2  0.23  0.97  0.6  1.0

Cd Cd As As As As As As