data_[K4Cd4Ge4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P-1]
_cell_length_a [8.2444]
_cell_length_b [8.6120]
_cell_length_c [8.8691]
_cell_angle_alpha [70.7620]
_cell_angle_beta [75.3311]
_cell_angle_gamma [73.3495]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCdGeAs2]
_chemical_formula_sum '[K4 Cd4 Ge4 As8]'
_cell_volume [560.7748]
_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
[
  K  K0  2  0.4416  0.8024  0.8102  1.0
  K  K1  2  0.4579  0.7648  0.3226  1.0
  Cd  Cd2  2  0.0061  0.1025  0.3136  1.0
  Cd  Cd3  2  0.0277  0.1766  0.8327  1.0
  Ge  Ge4  2  0.0436  0.4141  0.4014  1.0
  Ge  Ge5  2  0.1569  0.4489  0.9744  1.0
  As  As6  2  0.2007  0.1280  0.5367  1.0
  As  As7  2  0.2246  0.5930  0.6806  1.0
  As  As8  2  0.2391  0.1333  0.0358  1.0
  As  As9  2  0.2442  0.5528  0.1673  1.0
]