data_[Ho2As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6239]
_cell_length_b [6.7543]
_cell_length_c [7.7589]
_cell_angle_alpha [87.6635]
_cell_angle_beta [87.7537]
_cell_angle_gamma [80.5577]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HoAsS4]
_chemical_formula_sum '[Ho2 As2 S8]'
_cell_volume [341.9559]
_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  0.2031  0.7022  0.0591  1.0
  As  As1  2  0.3140  0.2568  0.8185  1.0
  S  S2  2  0.0768  0.5212  0.7676  1.0
  S  S3  2  0.1225  0.0201  0.8011  1.0
  S  S4  2  0.4013  0.2865  0.0873  1.0
  S  S5  2  0.4114  0.7696  0.3416  1.0
]