data_[Ho1Sc1Ag2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7738]
_cell_length_b [3.9021]
_cell_length_c [6.8241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HoSc(AgS2)2]
_chemical_formula_sum '[Ho1 Sc1 Ag2 S4]'
_cell_volume [166.2250]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  1  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.2310  0.0000  0.7694  1.0
  S  S5  2  0.2467  0.5000  0.2298  1.0
]