# generated using pymatgen
data_Tc(MoBr6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92203918
_cell_length_b   8.92203958
_cell_length_c   6.70815854
_cell_angle_alpha   69.00639792
_cell_angle_beta   69.00640400
_cell_angle_gamma   81.02077570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc(MoBr6)2
_chemical_formula_sum   'Tc1 Mo2 Br12'
_cell_volume   465.21373465
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo1  1  0.26732027  0.26732027  0.73298969  1.0
  Mo  Mo2  1  0.73267973  0.73267973  0.26701031  1.0
  Br  Br3  1  0.96820384  0.27363721  0.72590707  1.0
  Br  Br4  1  0.27363721  0.96820384  0.72590707  1.0
  Br  Br5  1  0.03179616  0.72636279  0.27409293  1.0
  Br  Br6  1  0.72636279  0.03179616  0.27409293  1.0
  Br  Br7  1  0.21955948  0.52978513  0.77990548  1.0
  Br  Br8  1  0.52978513  0.21955948  0.77990548  1.0
  Br  Br9  1  0.78044052  0.47021487  0.22009452  1.0
  Br  Br10  1  0.47021487  0.78044052  0.22009452  1.0
  Br  Br11  1  0.12822449  0.12822449  0.17661954  1.0
  Br  Br12  1  0.87177551  0.87177551  0.82338046  1.0
  Br  Br13  1  0.63114753  0.63114753  0.67806466  1.0
  Br  Br14  1  0.36885247  0.36885247  0.32193534  1.0