data_TcAs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.67
_cell_angle_alpha   103.23
_cell_angle_beta   103.23
_cell_angle_gamma   42.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAs2Br
_chemical_formula_sum   'Tc1 As2 Br1'
_cell_volume   88.9
_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  Tc3  1  0.24  0.0  0.03  1.0
  As  As0  1  0.17  0.0  0.3  1.0
  As  As1  1  0.57  0.0  0.54  1.0
  Br  Br2  1  0.18  0.0  0.83  1.0

data_TcAs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.51
_cell_length_c   6.67
_cell_angle_alpha   103.23
_cell_angle_beta   90.0
_cell_angle_gamma   111.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAs2Br
_chemical_formula_sum   'Tc1 As2 Br1'
_cell_volume   88.9
_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  0.0  0.76  0.97  1.0
  As  As1  1  0.0  0.43  0.46  1.0
  As  As2  1  0.0  0.83  0.7  1.0
  Br  Br3  1  0.0  0.82  0.17  1.0

Tc As As Br