data_[Ho12Si2P4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2668]
_cell_length_b [3.9739]
_cell_length_c [7.9429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6SiP2S3]
_chemical_formula_sum '[Ho12 Si2 P4 S6]'
_cell_volume [530.6844]
_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  4  0.0014  0.0000  0.2476  1.0
  Ho  Ho1  4  0.1652  0.5000  0.0876  1.0
  Ho  Ho2  4  0.1689  0.5000  0.5784  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1673  0.0000  0.3347  1.0
  S  S5  4  0.1676  0.0000  0.8319  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]