data_[Cs2Tl2P2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1138]
_cell_length_b [4.1138]
_cell_length_c [14.2400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [CsTlPIr]
_chemical_formula_sum '[Cs2 Tl2 P2 Ir2]'
_cell_volume [240.9939]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.2368  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  P  P2  2  0.0000  0.5000  0.9138  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
]