data_TcF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcF2
_chemical_formula_sum   'Tc2 F4'
_cell_volume   99.37
_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  Tc4  1  0.0  0.0  0.0  1.0
  Tc  Tc5  1  0.63  0.63  0.79  1.0
  F  F0  1  0.61  0.61  0.0  1.0
  F  F1  1  0.66  0.66  0.0  1.0
  F  F2  1  0.24  0.03  0.79  1.0
  F  F3  1  0.03  0.24  0.79  1.0

data_TcF2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcF2
_chemical_formula_sum   'Tc4 F8'
_cell_volume   198.75
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.13  0.5  0.79  1.0
  F  F2  4  0.13  0.11  0.79  1.0
  F  F3  2  0.11  0.5  0.0  1.0
  F  F4  2  0.16  0.5  0.0  1.0

Tc Tc F F F F