data_[Be4Ge8Pb4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8274]
_cell_length_b [11.9487]
_cell_length_c [6.9945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BeGe2PbS6]
_chemical_formula_sum '[Be4 Ge8 Pb4 S24]'
_cell_volume [972.4408]
_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
[
  Be  Be0  4  0.0000  0.2023  0.7500  1
  Ge  Ge1  8  0.1999  0.4246  0.1651  1
  Pb  Pb2  4  0.0000  0.1420  0.2500  1
  S  S3  8  0.1063  0.0749  0.6910  1
  S  S4  8  0.1250  0.2580  0.0412  1
  S  S5  8  0.1416  0.4305  0.4366  1
]