data_[Ho4Mn4Sn8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9287]
_cell_length_b [17.8191]
_cell_length_c [12.7485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoMnSn2S5]
_chemical_formula_sum '[Ho4 Mn4 Sn8 S20]'
_cell_volume [892.4732]
_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
[
  Ho  Ho0  4  0.0000  0.1937  0.0284  1
  Mn  Mn1  4  0.0000  0.4432  0.4176  1
  Sn  Sn2  4  0.0000  0.1180  0.3362  1
  Sn  Sn3  4  0.0000  0.1501  0.6712  1
  S  S4  4  0.0000  0.0374  0.0061  1
  S  S5  4  0.0000  0.2997  0.6772  1
  S  S6  4  0.0000  0.3168  0.3817  1
  S  S7  4  0.0000  0.3444  0.0261  1
  S  S8  4  0.0000  0.4781  0.7795  1
]