data_[Sr2Li1Tl1O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7712]
_cell_length_b [3.6924]
_cell_length_c [5.9463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2LiTlO4]
_chemical_formula_sum '[Sr2 Li1 Tl1 O4]'
_cell_volume [122.1407]
_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
[
  Sr  Sr0  1  0.5000  0.0000  0.5000  1.0
  Sr  Sr1  1  0.5000  0.5000  0.0000  1.0
  Li  Li2  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  1  0.0000  0.5000  0.5000  1.0
  O  O4  2  0.2330  0.0000  0.7673  1.0
  O  O5  2  0.2428  0.5000  0.2747  1.0
]