data_[Rb8Zr4Ge4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8092]
_cell_length_b [19.7004]
_cell_length_c [14.2550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2ZrGeS5]
_chemical_formula_sum '[Rb8 Zr4 Ge4 S20]'
_cell_volume [1069.7486]
_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
[
  Rb  Rb0  4  0.0000  0.1273  0.3235  1.0
  Rb  Rb1  4  0.0000  0.1291  0.6818  1.0
  Zr  Zr2  4  0.0000  0.2093  0.0331  1.0
  Ge  Ge3  4  0.0000  0.4306  0.4209  1.0
  S  S4  4  0.0000  0.0582  0.0198  1.0
  S  S5  4  0.0000  0.3043  0.6484  1.0
  S  S6  4  0.0000  0.3168  0.3995  1.0
  S  S7  4  0.0000  0.3257  0.0024  1.0
  S  S8  4  0.0000  0.4882  0.2946  1.0
]