data_[Ho4Sb4S14]
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 [Imm2]
_cell_length_a [3.9628]
_cell_length_b [15.1713]
_cell_length_c [9.0833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ho2Sb2S7]
_chemical_formula_sum '[Ho4 Sb4 S14]'
_cell_volume [546.0941]
_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  2  0.0000  0.0000  0.1526  1.0
  Ho  Ho1  2  0.0000  0.5000  0.1645  1.0
  Sb  Sb2  4  0.0000  0.2332  0.5036  1.0
  S  S3  4  0.0000  0.1228  0.7017  1.0
  S  S4  4  0.0000  0.1878  0.1234  1.0
  S  S5  4  0.0000  0.4303  0.8553  1.0
  S  S6  2  0.0000  0.5000  0.4610  1.0
]