data_[Ca24Ge8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4_132]
_cell_length_a [11.6741]
_cell_length_b [11.6741]
_cell_length_c [11.6741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [214]
_chemical_formula_structural [Ca3GeCl3]
_chemical_formula_sum '[Ca24 Ge8 Cl24]'
_cell_volume [1591.0000]
_cell_formula_units_Z [8]
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  24  0.1222  0.1250  0.8722  1
  Ge  Ge1  8  0.1250  0.1250  0.1250  1
  Cl  Cl2  24  0.1225  0.3750  0.3725  1
]