data_[Rb12Mn8S16]
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/c]
_cell_length_a [14.2667]
_cell_length_b [10.7419]
_cell_length_c [6.9898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb3(MnS2)2]
_chemical_formula_sum '[Rb12 Mn8 S16]'
_cell_volume [1066.4255]
_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  8  0.1233  0.1368  0.5486  1
  Rb  Rb1  4  0.0000  0.4011  0.2500  1
  Mn  Mn2  8  0.2106  0.3801  0.9374  1
  S  S3  8  0.1322  0.1945  0.0251  1
  S  S4  8  0.1765  0.4418  0.6159  1
]