# generated using pymatgen
data_TcBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66026886
_cell_length_b   6.66026886
_cell_length_c   6.29372364
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999939
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBr3
_chemical_formula_sum   'Tc2 Br6'
_cell_volume   241.78080831
_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  0.00000000  0.00000000  0.50000000  1.0
  Tc  Tc1  1  0.00000000  0.00000000  -0.00000000  1.0
  Br  Br2  1  0.00000000  0.29978110  0.75001786  1.0
  Br  Br3  1  -0.00000000  0.70021890  0.24998214  1.0
  Br  Br4  1  0.70021890  0.70021890  0.75001786  1.0
  Br  Br5  1  0.29978110  0.00000000  0.75001786  1.0
  Br  Br6  1  0.29978110  0.29978110  0.24998214  1.0
  Br  Br7  1  0.70021890  -0.00000000  0.24998214  1.0