data_[Sr4Ag4Ge4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5748]
_cell_length_b [12.5808]
_cell_length_c [10.5493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrAgGeBr5]
_chemical_formula_sum '[Sr4 Ag4 Ge4 Br20]'
_cell_volume [1163.4833]
_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
[
  Sr  Sr0  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag1  4  0.0000  0.0639  0.7500  1.0
  Ge  Ge2  4  0.0000  0.3827  0.7500  1.0
  Br  Br3  8  0.0432  0.2289  0.9361  1.0
  Br  Br4  8  0.2225  0.0779  0.2837  1.0
  Br  Br5  4  0.0000  0.3687  0.2500  1.0
]