data_[Ho4Ag4Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9159]
_cell_length_b [3.9232]
_cell_length_c [12.4516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HoAgSnS3]
_chemical_formula_sum '[Ho4 Ag4 Sn4 S12]'
_cell_volume [582.0956]
_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  0.0146  0.7500  0.8498  1
  Ag  Ag1  4  0.1995  0.2500  0.6113  1
  Sn  Sn2  4  0.1696  0.7500  0.4185  1
  S  S3  4  0.0144  0.2500  0.6945  1
  S  S4  4  0.1052  0.7500  0.0515  1
  S  S5  4  0.2455  0.7500  0.8000  1
]