data_[Cs4Ho2Tl2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/c]
_cell_length_a [8.2592]
_cell_length_b [8.6120]
_cell_length_c [14.4612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2HoTlBr6]
_chemical_formula_sum '[Cs4 Ho2 Tl2 Br12]'
_cell_volume [845.7640]
_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
[
  Cs  Cs0  4  0.2687  0.5634  0.7494  1.0
  Ho  Ho1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1482  0.5185  0.2287  1.0
  Br  Br4  4  0.2203  0.2277  0.0421  1.0
  Br  Br5  4  0.3163  0.6814  0.0396  1.0
]