data_[Sr2Li2Tl2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3066]
_cell_length_b [7.4259]
_cell_length_c [9.1086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrLiTlBr4]
_chemical_formula_sum '[Sr2 Li2 Tl2 Br8]'
_cell_volume [469.6424]
_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
[
  Sr  Sr0  2  0.2205  0.2500  0.5543  1.0
  Li  Li1  2  0.2336  0.7500  0.3121  1.0
  Tl  Tl2  2  0.2652  0.2500  0.0622  1.0
  Br  Br3  4  0.0045  0.5020  0.7223  1.0
  Br  Br4  2  0.4417  0.7500  0.1420  1.0
  Br  Br5  2  0.4485  0.7500  0.5867  1.0
]