data_[Sr8Tl2In2]
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 [P2_1/m]
_cell_length_a [5.9810]
_cell_length_b [7.6713]
_cell_length_c [10.1540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr4TlIn]
_chemical_formula_sum '[Sr8 Tl2 In2]'
_cell_volume [465.6631]
_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  0.2701  0.5024  0.2434  1
  Sr  Sr1  2  0.2248  0.2500  0.5835  1
  Sr  Sr2  2  0.2416  0.7500  0.9108  1
  Tl  Tl3  2  0.2838  0.7500  0.5753  1
  In  In4  2  0.2488  0.2500  0.9205  1
]