data_Cd2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   64.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2As
_chemical_formula_sum   'Cd4 As2'
_cell_volume   133.9
_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  0.96  0.28  0.38  1.0
  Cd  Cd3  1  0.8  0.72  0.14  1.0
  Cd  Cd4  1  0.8  0.28  0.38  1.0
  Cd  Cd5  1  0.96  0.72  0.14  1.0
  As  As0  1  0.38  0.55  0.38  1.0
  As  As1  1  0.38  0.45  0.14  1.0

data_Cd2As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.39
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cd2As
_chemical_formula_sum   'Cd4 As2'
_cell_volume   133.9
_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  0.42  0.28  0.62  1.0
  Cd  Cd1  2  0.42  0.72  0.38  1.0
  As  As2  2  -0.0  0.45  0.38  1.0

Cd Cd Cd Cd As As