data_[Cs4Mg2Zn4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5881]
_cell_length_b [3.9258]
_cell_length_c [7.9449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Mg(ZnS2)2]
_chemical_formula_sum '[Cs4 Mg2 Zn4 S8]'
_cell_volume [465.0743]
_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  0.1275  0.0000  0.5381  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1703  0.5000  0.9804  1.0
  S  S3  4  0.0244  0.5000  0.7990  1.0
  S  S4  4  0.2060  0.0000  0.1594  1.0
]