data_Cd2SiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   2.99
_cell_angle_alpha   99.72
_cell_angle_beta   99.72
_cell_angle_gamma   117.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiAs
_chemical_formula_sum   'Cd2 Si1 As1'
_cell_volume   82.26
_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  0.56  0.42  1.0
  Cd  Cd2  1  0.0  0.44  0.42  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.98  0.0  0.0  1.0

data_Cd2SiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   117.19
_cell_angle_beta   99.72
_cell_angle_gamma   99.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiAs
_chemical_formula_sum   'Cd2 Si1 As1'
_cell_volume   82.26
_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  0.42  0.0  0.56  1.0
  Cd  Cd1  1  0.42  0.0  0.44  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  As  As3  1  -0.0  0.98  0.0  1.0

Cd Cd Si As