data_[Ho6In2Ag6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0338]
_cell_length_b [7.9472]
_cell_length_c [7.9428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3InAg3S8]
_chemical_formula_sum '[Ho6 In2 Ag6 S16]'
_cell_volume [675.4578]
_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
[
  Ho  Ho0  4  0.2500  0.2500  0.0000  1.0
  Ho  Ho1  2  0.0000  0.5000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.0000  1.0
  S  S5  8  0.0055  0.2432  0.2719  1.0
  S  S6  4  0.2450  0.0000  0.7530  1.0
  S  S7  4  0.2485  0.0000  0.2309  1.0
]