data_[Te4Mo2N2]
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 [P2_1/m]
_cell_length_a [6.5871]
_cell_length_b [3.2543]
_cell_length_c [7.2731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te2MoN]
_chemical_formula_sum '[Te4 Mo2 N2]'
_cell_volume [151.5959]
_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
[
  Te  Te0  2  0.0142  0.7500  0.8053  1
  Te  Te1  2  0.4924  0.2500  0.7119  1
  Mo  Mo2  2  0.1890  0.7500  0.4903  1
  N  N3  2  0.1726  0.2500  0.9921  1
]