data_[Ho12P6Se4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4890]
_cell_length_b [3.9824]
_cell_length_c [8.0313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6P3Se2S]
_chemical_formula_sum '[Ho12 P6 Se4 S2]'
_cell_volume [542.7289]
_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  0.0050  0.0000  0.7461  1.0
  Ho  Ho1  4  0.1616  0.5000  0.5962  1.0
  Ho  Ho2  4  0.1683  0.5000  0.0704  1.0
  P  P3  4  0.1675  0.0000  0.8346  1.0
  P  P4  2  0.0000  0.5000  0.5000  1.0
  Se  Se5  4  0.1664  0.0000  0.3338  1.0
  S  S6  2  0.0000  0.5000  0.0000  1.0
]