data_[Mn2Zn2In8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [25.9082]
_cell_length_b [3.9205]
_cell_length_c [6.7922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnZn(InS2)4]
_chemical_formula_sum '[Mn2 Zn2 In8 S16]'
_cell_volume [687.3803]
_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
[
  Mn  Mn0  2  0.2390  0.0000  0.0753  1.0
  Zn  Zn1  2  0.0954  0.0000  0.6928  1.0
  In  In2  2  0.0943  0.5000  0.2035  1.0
  In  In3  2  0.2371  0.5000  0.5825  1.0
  In  In4  2  0.3869  0.5000  0.9617  1.0
  In  In5  2  0.3882  0.0000  0.4641  1.0
  S  S6  2  0.0595  0.0000  0.0060  1.0
  S  S7  2  0.0624  0.5000  0.5358  1.0
  S  S8  2  0.1883  0.0000  0.7374  1.0
  S  S9  2  0.1921  0.5000  0.2215  1.0
  S  S10  2  0.2925  0.5000  0.9387  1.0
  S  S11  2  0.2934  0.0000  0.4234  1.0
  S  S12  2  0.4306  0.0000  0.1431  1.0
  S  S13  2  0.4313  0.5000  0.6445  1.0
]