data_[Ho28Au4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8694]
_cell_length_b [12.8245]
_cell_length_c [23.4042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho7AuS5]
_chemical_formula_sum '[Ho28 Au4 S20]'
_cell_volume [1161.4051]
_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  0.1367  0.0363  1
  Ho  Ho1  8  0.0000  0.3146  0.6754  1
  Ho  Ho2  8  0.0000  0.4099  0.1083  1
  Ho  Ho3  4  0.0000  0.0284  0.7500  1
  Au  Au4  4  0.0000  0.2979  0.2500  1
  S  S5  8  0.0000  0.0474  0.1407  1
  S  S6  8  0.0000  0.2255  0.5702  1
  S  S7  4  0.0000  0.5000  0.0000  1
]