data_[Ho8Zn4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5000]
_cell_length_b [3.8818]
_cell_length_c [8.5216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho4Zn2S]
_chemical_formula_sum '[Ho8 Zn4 S2]'
_cell_volume [339.2450]
_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  0.0934  0.0000  0.3783  1
  Ho  Ho1  4  0.1730  0.5000  0.0843  1
  Zn  Zn2  4  0.1143  0.5000  0.6727  1
  S  S3  2  0.0000  0.0000  0.0000  1
]