data_[Mn4Sb8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6680]
_cell_length_b [3.8292]
_cell_length_c [15.4923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(SbS2)2]
_chemical_formula_sum '[Mn4 Sb8 S16]'
_cell_volume [688.0849]
_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  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  4  0.1460  0.5000  0.8733  1.0
  Sb  Sb3  4  0.2314  0.0000  0.3758  1.0
  S  S4  4  0.0060  0.0000  0.1632  1.0
  S  S5  4  0.1135  0.5000  0.4604  1.0
  S  S6  4  0.1549  0.5000  0.0375  1.0
  S  S7  4  0.1582  0.0000  0.6667  1.0
]