data_[Cs4Sr4Mn4S12]
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 [Cmcm]
_cell_length_a [4.3010]
_cell_length_b [14.9266]
_cell_length_c [11.8339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsSrMnS3]
_chemical_formula_sum '[Cs4 Sr4 Mn4 S12]'
_cell_volume [759.7325]
_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
[
  Cs  Cs0  4  0.0000  0.2663  0.7500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.0000  0.4504  0.2500  1.0
  S  S3  8  0.0000  0.3807  0.0829  1.0
  S  S4  4  0.0000  0.0222  0.2500  1.0
]