data_[Ca6Cd8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6953]
_cell_length_b [7.2886]
_cell_length_c [15.2077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca3(CdGe)4]
_chemical_formula_sum '[Ca6 Cd8 Ge8]'
_cell_volume [520.4470]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1183  1.0
  Ca  Ca1  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd2  8  0.0000  0.2013  0.3316  1.0
  Ge  Ge3  4  0.0000  0.3231  0.5000  1.0
  Ge  Ge4  4  0.0000  0.5000  0.2144  1.0
]