data_[Mn1Ge2Pb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5507]
_cell_length_b [7.0323]
_cell_length_c [8.6142]
_cell_angle_alpha [90.2709]
_cell_angle_beta [90.0299]
_cell_angle_gamma [92.4206]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnGe2PbBr8]
_chemical_formula_sum '[Mn1 Ge2 Pb1 Br8]'
_cell_volume [396.4697]
_cell_formula_units_Z [1]
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
[
  Mn  Mn0  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  2  0.4643  0.5439  0.7658  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  2  0.2113  0.1773  0.7825  1.0
  Br  Br4  2  0.2444  0.6812  0.9798  1.0
  Br  Br5  2  0.2558  0.1430  0.2245  1.0
  Br  Br6  2  0.2731  0.6583  0.5242  1.0
]