data_InTcBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   121.75
_cell_angle_beta   121.75
_cell_angle_gamma   87.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTcBr2
_chemical_formula_sum   'In1 Tc1 Br2'
_cell_volume   102.34
_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
  In  In2  1  0.0  0.0  0.84  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.58  0.0  0.92  1.0
  Br  Br1  1  0.0  0.58  0.92  1.0

data_InTcBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   133.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InTcBr2
_chemical_formula_sum   'In2 Tc2 Br4'
_cell_volume   204.67
_cell_formula_units_Z   2
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
  In  In0  2  0.16  0.0  0.16  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Br  Br2  4  0.37  0.29  0.66  1.0

In Tc Br Br
In Tc Br Br 0 1 o o + 0 2 - o o 0 3 o - o 1 2 - o - 1 3 o - - 