data_[Tl10Ni4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1637]
_cell_length_b [7.9765]
_cell_length_c [9.3356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(NiBr6)2]
_chemical_formula_sum '[Tl10 Ni4 Br24]'
_cell_volume [1185.0182]
_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
[
  Tl  Tl0  4  0.2074  0.5000  0.9377  1
  Tl  Tl1  4  0.2313  0.5000  0.4622  1
  Tl  Tl2  2  0.0000  0.0000  0.5000  1
  Ni  Ni3  4  0.0000  0.2586  0.0000  1
  Br  Br4  8  0.1264  0.2382  0.6116  1
  Br  Br5  8  0.1524  0.2485  0.1488  1
  Br  Br6  4  0.0009  0.5000  0.8207  1
  Br  Br7  4  0.0034  0.0000  0.8231  1
]