data_[Mn4Cu8Sn4Se8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [7.9561]
_cell_length_b [7.9886]
_cell_length_c [11.1890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [MnCu2Sn(SeS)2]
_chemical_formula_sum '[Mn4 Cu8 Sn4 Se8 S8]'
_cell_volume [711.1472]
_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
[
  Mn  Mn0  4  0.0000  0.0000  0.0147  1
  Cu  Cu1  8  0.2500  0.2500  0.2386  1
  Sn  Sn2  4  0.0000  0.0000  0.5029  1
  Se  Se3  8  0.0000  0.2376  0.8663  1
  S  S4  8  0.2475  0.0000  0.1363  1
]