data_[Cs4Mn4Cu4S12]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6176]
_cell_length_b [15.3416]
_cell_length_c [9.6419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsMnCuS3]
_chemical_formula_sum '[Cs4 Mn4 Cu4 S12]'
_cell_volume [535.1216]
_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  0.2532  0.2500  1
  Mn  Mn1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.4643  0.7500  1
  S  S3  8  0.0000  0.3988  0.5396  1
  S  S4  4  0.0000  0.0538  0.7500  1
]