data_[Si1Tc1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2963]
_cell_length_b [4.3718]
_cell_length_c [8.0343]
_cell_angle_alpha [95.4429]
_cell_angle_beta [98.1639]
_cell_angle_gamma [112.0178]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiTcBr2]
_chemical_formula_sum '[Si1 Tc1 Br2]'
_cell_volume [104.8555]
_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  0.6807  0.8415  0.0451  1
  Si  Si1  1  0.9329  0.3879  0.9869  1
  Br  Br2  1  0.3109  0.9325  0.2903  1
  Br  Br3  1  0.4344  0.5590  0.7323  1
]