data_[Sr12Ge2P4Br6]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6839]
_cell_length_b [13.6954]
_cell_length_c [8.0157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6GeP2Br3]
_chemical_formula_sum '[Sr12 Ge2 P4 Br6]'
_cell_volume [797.6119]
_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  8  0.2376  0.1728  0.2094  1.0
  Sr  Sr1  4  0.2288  0.5000  0.2145  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  P  P3  4  0.0000  0.3362  0.0000  1.0
  Br  Br4  4  0.0000  0.1707  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]