data_[Rb4Mn4S8]
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 [7.5942]
_cell_length_b [11.4120]
_cell_length_c [5.8973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbMnS2]
_chemical_formula_sum '[Rb4 Mn4 S8]'
_cell_volume [469.3640]
_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  0.1457  0.2500  1
  Mn  Mn1  4  0.0000  0.4895  0.7500  1
  S  S2  8  0.1953  0.4051  0.1131  1
]