data_[Sr6Tl4]
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
]
_symmetry_space_group_name_H-M [P2_12_12]
_cell_length_a [5.4379]
_cell_length_b [10.3648]
_cell_length_c [19.8083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [18]
_chemical_formula_structural [Sr3Tl2]
_chemical_formula_sum '[Sr6 Tl4]'
_cell_volume [1116.4538]
_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  4  0.2204  0.6400  0.3786  1
  Sr  Sr1  2  0.0000  0.5000  0.5781  1
  Tl  Tl2  4  0.2097  0.8193  0.5347  1
]