data_[Cd12Ge8As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2409]
_cell_length_b [10.9181]
_cell_length_c [6.6479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd3(GeAs2)2]
_chemical_formula_sum '[Cd12 Ge8 As16]'
_cell_volume [878.9844]
_cell_formula_units_Z [4]
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  8  0.1242  0.1038  0.0998  1
  Cd  Cd1  4  0.0000  0.2933  0.7500  1
  Ge  Ge2  8  0.1785  0.3801  0.3867  1
  As  As3  8  0.1147  0.1503  0.4974  1
  As  As4  8  0.1687  0.3924  0.0026  1
]