data_[Ho3Sb2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2133]
_cell_length_b [4.2133]
_cell_length_c [10.3146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ho3Sb2S]
_chemical_formula_sum '[Ho3 Sb2 S1]'
_cell_volume [158.5725]
_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  2  0.3333  0.6667  0.3544  1
  Ho  Ho1  1  0.0000  0.0000  0.0000  1
  Sb  Sb2  2  0.3333  0.6667  0.8220  1
  S  S3  1  0.0000  0.0000  0.5000  1
]