data_[Mn8Sb4S16]
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 [Imma]
_cell_length_a [7.2421]
_cell_length_b [8.4155]
_cell_length_c [9.7651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Mn2SbS4]
_chemical_formula_sum '[Mn8 Sb4 S16]'
_cell_volume [595.1445]
_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  0.5000  1
  Mn  Mn1  4  0.2500  0.2500  0.7500  1
  Sb  Sb2  4  0.0000  0.2500  0.1737  1
  S  S3  8  0.0000  0.0611  0.7447  1
  S  S4  8  0.2276  0.2500  0.4844  1
]