data_[Sr4Ge2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.5035]
_cell_length_b [4.2711]
_cell_length_c [19.2834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2GeBr6]
_chemical_formula_sum '[Sr4 Ge2 Br12]'
_cell_volume [1853.4197]
_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  4  0.1608  0.0000  0.5308  1
  Ge  Ge1  2  0.0000  0.5000  0.5000  1
  Br  Br2  4  0.0741  0.5000  0.6111  1
  Br  Br3  4  0.1027  0.5000  0.4256  1
  Br  Br4  4  0.2448  0.5000  0.5868  1
]