data_[Tl12Mo16W8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9985]
_cell_length_b [5.5200]
_cell_length_c [13.8303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3Mo4W2N3]
_chemical_formula_sum '[Tl12 Mo16 W8 N12]'
_cell_volume [744.3445]
_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
[
  Tl  Tl0  8  0.1634  0.4214  0.7452  1
  Tl  Tl1  4  0.0000  0.0846  0.2500  1
  Mo  Mo2  8  0.1099  0.0727  0.5751  1
  Mo  Mo3  8  0.2101  0.1009  0.9216  1
  W  W4  8  0.0708  0.4136  0.4308  1
  N  N5  8  0.0926  0.2680  0.0209  1
  N  N6  4  0.2500  0.2500  0.5000  1
]