data_[Sr2Tl2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8271]
_cell_length_b [4.4137]
_cell_length_c [9.1152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTlCl3]
_chemical_formula_sum '[Sr2 Tl2 Cl6]'
_cell_volume [353.3922]
_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  0.3409  0.2500  0.8353  1.0
  Tl  Tl1  2  0.2020  0.2500  0.3857  1.0
  Cl  Cl2  2  0.0398  0.2500  0.6896  1.0
  Cl  Cl3  2  0.3312  0.7500  0.0522  1.0
  Cl  Cl4  2  0.3991  0.7500  0.6428  1.0
]