data_[Ca4Ga4Ge8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8142]
_cell_length_b [11.9481]
_cell_length_c [7.2786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaGa(GeS3)2]
_chemical_formula_sum '[Ca4 Ga4 Ge8 S24]'
_cell_volume [1020.7146]
_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  4  0.0000  0.1268  0.2500  1
  Ga  Ga1  4  0.0000  0.1961  0.7500  1
  Ge  Ge2  8  0.1882  0.4283  0.1894  1
  S  S3  8  0.1127  0.0688  0.6598  1
  S  S4  8  0.1221  0.2512  0.0654  1
  S  S5  8  0.1352  0.4311  0.4633  1
]