data_[Ba4Cu24Ge8S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.1378]
_cell_length_b [12.0627]
_cell_length_c [17.6566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [BaCu6(GeS4)2]
_chemical_formula_sum '[Ba4 Cu24 Ge8 S32]'
_cell_volume [1307.2707]
_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
[
  Ba  Ba0  4  0.0733  0.2263  0.7500  1
  Cu  Cu1  8  0.0498  0.0048  0.1285  1
  Cu  Cu2  8  0.4412  0.5931  0.0473  1
  Cu  Cu3  8  0.4965  0.2053  0.6253  1
  Ge  Ge4  4  0.0098  0.2500  0.0000  1
  Ge  Ge5  4  0.4575  0.5435  0.2500  1
  S  S6  8  0.2245  0.6286  0.5551  1
  S  S7  8  0.2302  0.1662  0.0850  1
  S  S8  8  0.3150  0.0272  0.6403  1
  S  S9  4  0.1862  0.0064  0.2500  1
  S  S10  4  0.4178  0.7295  0.2500  1
]