data_[Cs4Mn6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [5.9919]
_cell_length_b [14.0335]
_cell_length_c [5.9865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Cs2Mn3S4]
_chemical_formula_sum '[Cs4 Mn6 S8]'
_cell_volume [503.3837]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  4  0.2500  0.2500  0.7535  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2408  0.5925  0.7399  1.0
]