data_TcF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   59.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcF3
_chemical_formula_sum   'Tc2 F6'
_cell_volume   119.69
_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  0.54  0.0  0.76  1.0
  Tc  Tc1  1  0.0  0.0  0.1  1.0
  F  F2  1  0.0  0.0  0.13  1.0
  F  F3  1  0.0  0.78  0.04  1.0
  F  F4  1  0.0  0.22  0.04  1.0
  F  F5  1  0.54  0.0  0.46  1.0
  F  F6  1  0.54  0.33  0.54  1.0
  F  F7  1  0.54  0.67  0.54  1.0

data_TcF3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   6.69
_cell_length_c   6.72
_cell_angle_alpha   119.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcF3
_chemical_formula_sum   'Tc2 F6'
_cell_volume   119.69
_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  0.0  0.1  0.1  1.0
  Tc  Tc1  1  0.46  0.76  0.76  1.0
  F  F2  1  -0.0  0.04  0.26  1.0
  F  F3  1  0.0  0.13  0.13  1.0
  F  F4  1  0.0  0.04  0.83  1.0
  F  F5  1  0.46  0.46  0.46  1.0
  F  F6  1  0.46  0.54  0.21  1.0
  F  F7  1  0.46  0.54  0.87  1.0

Tc Tc F F F F F F