data_[Ho12Te12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0661]
_cell_length_b [11.9331]
_cell_length_c [8.6234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ho3Te3N]
_chemical_formula_sum '[Ho12 Te12 N4]'
_cell_volume [784.1758]
_cell_formula_units_Z [4]
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  0.1593  0.0872  0.7048  1
  Ho  Ho1  4  0.2329  0.7093  0.3455  1
  Ho  Ho2  4  0.3983  0.0217  0.1379  1
  Te  Te3  4  0.0470  0.1917  0.9833  1
  Te  Te4  4  0.2259  0.5199  0.9149  1
  Te  Te5  4  0.4909  0.2345  0.8123  1
  N  N6  4  0.3265  0.5350  0.3762  1
]