data_[Ho2Tl10Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.5141]
_cell_length_b [10.5419]
_cell_length_c [9.7995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HoTl5Br8]
_chemical_formula_sum '[Ho2 Tl10 Br16]'
_cell_volume [1080.1902]
_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
[
  Ho  Ho0  2  0.0000  0.1561  0.0000  1
  Tl  Tl1  4  0.1973  0.8801  0.4775  1
  Tl  Tl2  4  0.2036  0.6359  0.0694  1
  Tl  Tl3  2  0.0000  0.4492  0.5000  1
  Br  Br4  4  0.0450  0.1686  0.3223  1
  Br  Br5  4  0.0711  0.6062  0.2933  1
  Br  Br6  4  0.1826  0.9600  0.1288  1
  Br  Br7  4  0.2035  0.3212  0.1291  1
]