data_[Rb16Zr8Mn8S32]
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
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.0634]
_cell_length_b [14.0343]
_cell_length_c [24.4146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Rb2ZrMnS4]
_chemical_formula_sum '[Rb16 Zr8 Mn8 S32]'
_cell_volume [2077.5734]
_cell_formula_units_Z [8]
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  16  0.0000  0.0000  0.1786  1
  Zr  Zr1  8  0.0000  0.0000  0.0000  1
  Mn  Mn2  8  0.0000  0.0000  0.5000  1
  S  S3  32  0.0014  0.1529  0.6971  1
]