data_[Ca8Zn4Cd4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.1177]
_cell_length_b [4.6673]
_cell_length_c [15.4623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ca2ZnCdGe2]
_chemical_formula_sum '[Ca8 Zn4 Cd4 Ge8]'
_cell_volume [577.4350]
_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
[
  Ca  Ca0  1  0.1763  0.5000  0.0573  1
  Ca  Ca1  1  0.1857  0.0000  0.5617  1
  Ca  Ca2  1  0.4228  0.5000  0.8062  1
  Ca  Ca3  1  0.4407  0.0000  0.3228  1
  Ca  Ca4  1  0.6848  0.5000  0.5564  1
  Ca  Ca5  1  0.6996  0.0000  0.0594  1
  Ca  Ca6  1  0.9420  0.5000  0.3224  1
  Ca  Ca7  1  0.9479  0.0000  0.8129  1
  Zn  Zn8  1  0.0040  0.0000  0.9972  1
  Zn  Zn9  1  0.0042  0.5000  0.5077  1
  Zn  Zn10  1  0.2492  0.0000  0.7463  1
  Zn  Zn11  1  0.4989  0.0000  0.5079  1
  Cd  Cd12  1  0.2504  0.5000  0.2478  1
  Cd  Cd13  1  0.4982  0.5000  0.9979  1
  Cd  Cd14  1  0.7472  0.5000  0.7482  1
  Cd  Cd15  1  0.7498  0.0000  0.2494  1
  Ge  Ge16  1  0.0624  0.0000  0.1835  1
  Ge  Ge17  1  0.0667  0.5000  0.6853  1
  Ge  Ge18  1  0.3046  0.0000  0.9318  1
  Ge  Ge19  1  0.3129  0.5000  0.4432  1
  Ge  Ge20  1  0.5528  0.0000  0.6851  1
  Ge  Ge21  1  0.5631  0.5000  0.1882  1
  Ge  Ge22  1  0.8157  0.0000  0.4439  1
  Ge  Ge23  1  0.8201  0.5000  0.9374  1
]