data_[Ho12P2S4N4]
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
  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 [6.3704]
_cell_length_b [11.1116]
_cell_length_c [6.4774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6P(SN)2]
_chemical_formula_sum '[Ho12 P2 S4 N4]'
_cell_volume [433.6595]
_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  0.2447  0.1758  0.7771  1.0
  Ho  Ho1  4  0.2229  0.0000  0.2175  1.0
  P  P2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.0000  0.3378  0.5000  1.0
  N  N4  4  0.0000  0.1656  0.0000  1.0
]