data_[In4Tc2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Tc  1.9000  1.3500  0.7417
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6097]
_cell_length_b [3.0852]
_cell_length_c [6.3322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2TcBr]
_chemical_formula_sum '[In4 Tc2 Br2]'
_cell_volume [188.5192]
_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
[
  In  In0  2  0.3177  0.5000  0.3861  1
  In  In1  2  0.4735  0.5000  0.9886  1
  Tc  Tc2  2  0.0495  0.5000  0.3900  1
  Br  Br3  2  0.1593  0.0000  0.7353  1
]