data_[Mn2Sb4S8]
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 [14.3563]
_cell_length_b [3.8084]
_cell_length_c [7.0430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(SbS2)2]
_chemical_formula_sum '[Mn2 Sb4 S8]'
_cell_volume [336.7219]
_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  0.0000  0.0000  0.0000  1
  Sb  Sb1  4  0.2374  0.5000  0.7234  1
  S  S2  4  0.1192  0.5000  0.9848  1
  S  S3  4  0.1255  0.0000  0.4206  1
]