data_[Tl1Ge1Mo4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2798]
_cell_length_b [3.2798]
_cell_length_c [12.4759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TlGe(Mo2N)2]
_chemical_formula_sum '[Tl1 Ge1 Mo4 N2]'
_cell_volume [116.2214]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.5000  1
  Ge  Ge1  1  0.0000  0.0000  0.0000  1
  Mo  Mo2  2  0.0000  0.0000  0.3062  1
  Mo  Mo3  2  0.6667  0.3333  0.1446  1
  N  N4  2  0.3333  0.6667  0.2480  1
]