data_Cd3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   154.52
_cell_angle_beta   133.24
_cell_angle_gamma   54.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3As
_chemical_formula_sum   'Cd3 As1'
_cell_volume   92.26
_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
  Cd  Cd1  1  0.0  0.64  0.24  1.0
  Cd  Cd2  1  0.47  0.0  0.7  1.0
  Cd  Cd3  1  0.0  0.0  0.94  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Cd3As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.29
_cell_length_c   6.66
_cell_angle_alpha   113.38
_cell_angle_beta   102.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3As
_chemical_formula_sum   'Cd3 As1'
_cell_volume   92.26
_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
  Cd  Cd0  1  0.06  0.06  0.06  1.0
  Cd  Cd1  1  0.76  0.41  0.41  1.0
  Cd  Cd2  1  0.77  0.3  0.77  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Cd Cd Cd As