data_[Mn4Sn8Sb4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9456]
_cell_length_b [17.9275]
_cell_length_c [12.7199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnSn2SbS5]
_chemical_formula_sum '[Mn4 Sn8 Sb4 S20]'
_cell_volume [899.7301]
_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  0.4301  0.3747  1.0
  Sn  Sn1  4  0.0000  0.0937  0.3497  1.0
  Sn  Sn2  4  0.0000  0.1492  0.7000  1.0
  Sb  Sb3  4  0.0000  0.2019  0.0472  1.0
  S  S4  4  0.0000  0.0345  0.9623  1.0
  S  S5  4  0.0000  0.2925  0.6958  1.0
  S  S6  4  0.0000  0.3030  0.3940  1.0
  S  S7  4  0.0000  0.3441  0.0503  1.0
  S  S8  4  0.0000  0.4790  0.7499  1.0
]