data_[Ho16Ga4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8753]
_cell_length_b [12.8364]
_cell_length_c [13.2928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho4GaS2]
_chemical_formula_sum '[Ho16 Ga4 S8]'
_cell_volume [661.2536]
_cell_formula_units_Z [4]
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  8  0.0000  0.2284  0.6208  1
  Ho  Ho1  4  0.0000  0.0625  0.2500  1
  Ho  Ho2  4  0.0000  0.5000  0.0000  1
  Ga  Ga3  4  0.0000  0.3917  0.2500  1
  S  S4  8  0.0000  0.1361  0.0598  1
]