data_[Sr2Sn2Ge2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.9984]
_cell_length_b [6.9984]
_cell_length_c [13.3689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [SrSnGeBr6]
_chemical_formula_sum '[Sr2 Sn2 Ge2 Br12]'
_cell_volume [654.7760]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.9995  1.0
  Sn  Sn1  2  0.0000  0.0000  0.6676  1.0
  Ge  Ge2  2  0.0000  0.0000  0.3313  1.0
  Br  Br3  4  0.1902  0.8098  0.4928  1.0
  Br  Br4  4  0.1951  0.8049  0.1788  1.0
  Br  Br5  4  0.2101  0.7899  0.8293  1.0
]