data_[Sr4Tl2In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0972]
_cell_length_b [5.6841]
_cell_length_c [11.8689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sr2TlIn]
_chemical_formula_sum '[Sr4 Tl2 In2]'
_cell_volume [276.4113]
_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  0.0000  0.0000  0.9805  1
  Sr  Sr1  2  0.0000  0.5000  0.7706  1
  Tl  Tl2  2  0.0000  0.0000  0.5268  1
  In  In3  2  0.0000  0.5000  0.2222  1
]