data_[Ag4Ge4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [7.4890]
_cell_length_b [7.7929]
_cell_length_c [13.3742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgGeBr3]
_chemical_formula_sum '[Ag4 Ge4 Br12]'
_cell_volume [737.8406]
_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
[
  Ag  Ag0  4  0.3249  0.6141  0.2040  1.0
  Ge  Ge1  4  0.1675  0.0112  0.3947  1.0
  Br  Br2  4  0.0864  0.0902  0.7702  1.0
  Br  Br3  4  0.1265  0.7383  0.0081  1.0
  Br  Br4  4  0.4548  0.6332  0.8485  1.0
]