# generated using pymatgen
data_TcO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32684842
_cell_length_b   5.32684860
_cell_length_c   5.44720143
_cell_angle_alpha   59.27844092
_cell_angle_beta   59.27843757
_cell_angle_gamma   61.47230049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcO2F
_chemical_formula_sum   'Tc2 O4 F2'
_cell_volume   109.21037798
_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  1  0.75035516  0.18602488  0.85000160  1.0
  Tc  Tc1  1  0.18602488  0.75035516  0.35000160  1.0
  O  O2  1  0.96440189  0.47121023  0.59861475  1.0
  O  O3  1  0.98307142  0.95644237  0.60942564  1.0
  O  O4  1  0.47121023  0.96440189  0.09861475  1.0
  O  O5  1  0.95644237  0.98307142  0.10942564  1.0
  F  F6  1  0.48514149  0.44578356  0.57831001  1.0
  F  F7  1  0.44578356  0.48514149  0.07831001  1.0