data_Cd3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3As
_chemical_formula_sum   'Cd6 As2'
_cell_volume   161.8
_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  Cd2  1  0.0  0.77  0.77  1.0
  Cd  Cd3  1  0.52  0.4  0.77  1.0
  Cd  Cd4  1  0.48  0.4  0.77  1.0
  Cd  Cd5  1  0.05  0.51  0.26  1.0
  Cd  Cd6  1  0.53  0.88  0.26  1.0
  Cd  Cd7  1  0.57  0.88  0.26  1.0
  As  As0  1  0.0  0.52  0.26  1.0
  As  As1  1  0.05  0.76  0.77  1.0

data_Cd3As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.02
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cd3As
_chemical_formula_sum   'Cd6 As2'
_cell_volume   161.8
_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  0.24  0.03  0.37  1.0
  Cd  Cd1  2  0.24  0.51  0.74  1.0
  Cd  Cd2  2  0.24  0.54  0.74  1.0
  As  As3  2  0.24  0.97  0.38  1.0

Cd Cd Cd Cd Cd Cd As As