data_[Ho12Tl6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4549]
_cell_length_b [6.7368]
_cell_length_c [7.0610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Tl3N]
_chemical_formula_sum '[Ho12 Tl6 N2]'
_cell_volume [532.3196]
_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  0.1022  0.2591  0.3580  1
  Ho  Ho1  4  0.1640  0.5000  0.8309  1
  Tl  Tl2  4  0.1760  0.0000  0.7312  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  N  N4  2  0.0000  0.5000  0.5000  1
]