# generated using pymatgen
data_TcNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41042463
_cell_length_b   6.41042463
_cell_length_c   6.41042463
_cell_angle_alpha   125.89360104
_cell_angle_beta   125.89360104
_cell_angle_gamma   80.06308432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNO2
_chemical_formula_sum   'Tc4 N4 O8'
_cell_volume   166.89685950
_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
  N  N4  1  0.87500000  0.62500000  0.25000000  1.0
  N  N5  1  0.37500000  0.62500000  0.75000000  1.0
  N  N6  1  0.37500000  0.62500000  0.25000000  1.0
  N  N7  1  0.37500000  0.12500000  0.75000000  1.0
  O  O8  1  0.20539200  0.40284200  0.19745000  1.0
  O  O9  1  0.20539200  0.00794200  0.80255000  1.0
  O  O10  1  0.15284200  0.45539200  0.69745000  1.0
  O  O11  1  0.54460800  0.84715800  0.30255000  1.0
  O  O12  1  0.75794200  0.45539200  0.30255000  1.0
  O  O13  1  0.54460800  0.24205800  0.69745000  1.0
  O  O14  1  0.59715800  0.79460800  0.80255000  1.0
  O  O15  1  0.99205800  0.79460800  0.19745000  1.0