data_[Ho12P2Se4S6]
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 [6.8635]
_cell_length_b [11.9161]
_cell_length_c [6.8394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6PSe2S3]
_chemical_formula_sum '[Ho12 P2 Se4 S6]'
_cell_volume [527.2885]
_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  8  0.2452  0.1579  0.2613  1
  Ho  Ho1  4  0.2286  0.0000  0.7376  1
  P  P2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.3339  0.0000  1
  S  S4  4  0.0000  0.1721  0.5000  1
  S  S5  2  0.0000  0.5000  0.5000  1
]