data_[Tc4Pb4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3625]
_cell_length_b [7.9257]
_cell_length_c [7.5176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcPbBrO4]
_chemical_formula_sum '[Tc4 Pb4 Br4 O16]'
_cell_volume [648.6063]
_cell_formula_units_Z [4]
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  4  0.1390  0.5000  0.2646  1
  Pb  Pb1  4  0.2003  0.0000  0.1292  1
  Br  Br2  4  0.0182  0.0000  0.7563  1
  O  O3  8  0.1842  0.3217  0.1619  1
  O  O4  4  0.0184  0.5000  0.7771  1
  O  O5  4  0.2085  0.5000  0.5027  1
]