data_[Rb4Mn8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.3495]
_cell_length_b [8.7084]
_cell_length_c [9.1174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Rb(MnS2)2]
_chemical_formula_sum '[Rb4 Mn8 S16]'
_cell_volume [678.9797]
_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  2  0.0000  0.0326  0.5000  1.0
  Rb  Rb1  2  0.0000  0.2948  0.0000  1.0
  Mn  Mn2  4  0.0384  0.6315  0.6980  1.0
  Mn  Mn3  4  0.1915  0.8458  0.0761  1.0
  S  S4  4  0.0451  0.8418  0.2071  1.0
  S  S5  4  0.0509  0.3741  0.6817  1.0
  S  S6  4  0.1782  0.6781  0.5815  1.0
  S  S7  4  0.2306  0.5885  0.9989  1.0
]