data_[Cs1Tl2Os1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4813]
_cell_length_b [9.9492]
_cell_length_c [7.7768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsTl2OsBr8]
_chemical_formula_sum '[Cs1 Tl2 Os1 Br8]'
_cell_volume [457.1626]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Tl  Tl1  2  0.0000  0.2622  0.5000  1
  Os  Os2  1  0.0000  0.0000  0.0000  1
  Br  Br3  4  0.2520  0.1764  0.2122  1
  Br  Br4  2  0.2243  0.0000  0.8075  1
  Br  Br5  2  0.3156  0.5000  0.6957  1
]