data_[Rb10Zr2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [9.8890]
_cell_length_b [10.6704]
_cell_length_c [7.7840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Rb5ZrS4]
_chemical_formula_sum '[Rb10 Zr2 S8]'
_cell_volume [821.3614]
_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
[
  Rb  Rb0  8  0.2467  0.3131  0.7343  1
  Rb  Rb1  2  0.0000  0.5000  0.1646  1
  Zr  Zr2  2  0.0000  0.0000  0.8075  1
  S  S3  4  0.0000  0.1907  0.9816  1
  S  S4  4  0.2029  0.0000  0.6285  1
]