# generated using pymatgen
data_TcH2NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69434074
_cell_length_b   7.69434074
_cell_length_c   7.69434074
_cell_angle_alpha   133.24739980
_cell_angle_beta   133.24739980
_cell_angle_gamma   68.26588782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcH2NO2
_chemical_formula_sum   'Tc4 H8 N4 O8'
_cell_volume   237.43286833
_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
  Tc  Tc0  1  0.37500000  0.12500000  0.25000000  1.0
  Tc  Tc1  1  0.87500000  0.12500000  0.75000000  1.0
  Tc  Tc2  1  0.87500000  0.12500000  0.25000000  1.0
  Tc  Tc3  1  0.87500000  0.62500000  0.75000000  1.0
  H  H4  1  0.81353600  0.54872500  0.27269800  1.0
  H  H5  1  0.27602700  0.54083800  0.72730200  1.0
  H  H6  1  0.29872500  0.52602700  0.23519000  1.0
  H  H7  1  0.93646400  0.70127500  0.22730200  1.0
  H  H8  1  0.29083800  0.06353600  0.76481000  1.0
  H  H9  1  0.47397300  0.70916200  0.77269800  1.0
  H  H10  1  0.45127500  0.72397300  0.26481000  1.0
  H  H11  1  0.45916200  0.18646400  0.73519000  1.0
  N  N12  1  0.87500000  0.62500000  0.25000000  1.0
  N  N13  1  0.37500000  0.62500000  0.75000000  1.0
  N  N14  1  0.37500000  0.62500000  0.25000000  1.0
  N  N15  1  0.37500000  0.12500000  0.75000000  1.0
  O  O16  1  0.16920900  0.34897400  0.19662200  1.0
  O  O17  1  0.15235100  0.97258700  0.80337800  1.0
  O  O18  1  0.09897400  0.40235100  0.67976500  1.0
  O  O19  1  0.58079100  0.90102600  0.30337800  1.0
  O  O20  1  0.72258700  0.41920900  0.32023500  1.0
  O  O21  1  0.59764900  0.27741300  0.69662200  1.0
  O  O22  1  0.65102600  0.84764900  0.82023500  1.0
  O  O23  1  0.02741300  0.83079100  0.17976500  1.0