data_[Te12Mo16N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5157]
_cell_length_b [9.7658]
_cell_length_c [10.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Te3(Mo2N)2]
_chemical_formula_sum '[Te12 Mo16 N8]'
_cell_volume [658.9347]
_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
[
  Te  Te0  8  0.1584  0.5779  0.1159  1
  Te  Te1  4  0.1124  0.7500  0.8118  1
  Mo  Mo2  8  0.0284  0.1052  0.4221  1
  Mo  Mo3  4  0.0129  0.2500  0.6804  1
  Mo  Mo4  4  0.1721  0.2500  0.9648  1
  N  N5  8  0.1422  0.5972  0.4138  1
]