data_[Cd4As2Cl5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0676]
_cell_length_b [9.5079]
_cell_length_c [10.0799]
_cell_angle_alpha [84.0034]
_cell_angle_beta [78.4820]
_cell_angle_gamma [85.8323]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd4As2Cl5]
_chemical_formula_sum '[Cd4 As2 Cl5]'
_cell_volume [379.3558]
_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  2  0.1619  0.5395  0.6646  1
  Cd  Cd1  2  0.4658  0.7429  0.9697  1
  As  As2  2  0.0537  0.4126  0.9217  1
  Cl  Cl3  2  0.2709  0.6354  0.4089  1
  Cl  Cl4  2  0.3968  0.2699  0.2904  1
  Cl  Cl5  1  0.5000  0.0000  0.0000  1
]