data_[Sr8Tl4Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5983]
_cell_length_b [6.0390]
_cell_length_c [8.3228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr2TlIr2]
_chemical_formula_sum '[Sr8 Tl4 Ir8]'
_cell_volume [518.2212]
_cell_formula_units_Z [4]
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  8  0.1471  0.3547  0.1450  1.0
  Tl  Tl1  4  0.0000  0.1131  0.7500  1.0
  Ir  Ir2  8  0.1478  0.1569  0.5098  1.0
]