data_[Tc2Br2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2055]
_cell_length_b [3.2819]
_cell_length_c [8.8004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TcBrN]
_chemical_formula_sum '[Tc2 Br2 N2]'
_cell_volume [121.4607]
_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
[
  Tc  Tc0  2  0.3061  0.7500  0.4314  1
  Br  Br1  2  0.2574  0.2500  0.1986  1
  N  N2  2  0.2093  0.2500  0.5553  1
]