data_[Cs2Sr2Mn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6774]
_cell_length_b [6.7903]
_cell_length_c [9.6467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSrMnS4]
_chemical_formula_sum '[Cs2 Sr2 Mn2 S8]'
_cell_volume [415.6674]
_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  2  0.2857  0.2500  0.0715  1.0
  Sr  Sr1  2  0.2325  0.2500  0.5396  1.0
  Mn  Mn2  2  0.1937  0.7500  0.3197  1.0
  S  S3  4  0.0089  0.0031  0.7215  1.0
  S  S4  2  0.3639  0.7500  0.5441  1.0
  S  S5  2  0.3916  0.7500  0.1872  1.0
]