data_[Rb12Mn4S12]
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/m]
_cell_length_a [8.6965]
_cell_length_b [13.2972]
_cell_length_c [7.9044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3MnS3]
_chemical_formula_sum '[Rb12 Mn4 S12]'
_cell_volume [884.8576]
_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  0.1815  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2625  0.0000  1.0
  Rb  Rb2  4  0.1116  0.5000  0.3532  1.0
  Mn  Mn3  4  0.1454  0.0000  0.1356  1.0
  S  S4  8  0.2193  0.3647  0.7302  1.0
  S  S5  4  0.1060  0.0000  0.8460  1.0
]