data_[Ho10S10N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0458]
_cell_length_b [5.4051]
_cell_length_c [7.5616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho5S5N]
_chemical_formula_sum '[Ho10 S10 N2]'
_cell_volume [466.5736]
_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  0.1498  0.0000  0.8420  1.0
  Ho  Ho1  4  0.1539  0.0000  0.3126  1.0
  Ho  Ho2  2  0.0000  0.5000  0.0000  1.0
  S  S3  4  0.1665  0.5000  0.8318  1.0
  S  S4  4  0.1739  0.5000  0.3323  1.0
  S  S5  2  0.0000  0.0000  0.5000  1.0
  N  N6  2  0.0000  0.0000  0.0000  1.0
]