data_[Li8Ca4Ge4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4569]
_cell_length_b [13.4907]
_cell_length_c [7.8840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2CaGeI6]
_chemical_formula_sum '[Li8 Ca4 Ge4 I24]'
_cell_volume [1515.1843]
_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
[
  Li  Li0  8  0.1720  0.4108  0.8133  1.0
  Ca  Ca1  4  0.0000  0.0904  0.7500  1.0
  Ge  Ge2  4  0.0000  0.2705  0.2500  1.0
  I  I3  8  0.1206  0.2491  0.6038  1.0
  I  I4  8  0.1221  0.0852  0.1240  1.0
  I  I5  8  0.1262  0.4123  0.1402  1.0
]