data_[Sr2Tl2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [9.2116]
_cell_length_b [4.5945]
_cell_length_c [9.6231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTlBr3]
_chemical_formula_sum '[Sr2 Tl2 Br6]'
_cell_volume [404.8631]
_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  0.3428  0.2500  0.8372  1.0
  Tl  Tl1  2  0.2027  0.2500  0.3978  1.0
  Br  Br2  2  0.0368  0.2500  0.6894  1.0
  Br  Br3  2  0.3248  0.7500  0.0534  1.0
  Br  Br4  2  0.4029  0.7500  0.6406  1.0
]