data_[La4Tl1Sb1I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8809]
_cell_length_b [4.7171]
_cell_length_c [8.1090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4TlSbI2]
_chemical_formula_sum '[La4 Tl1 Sb1 I2]'
_cell_volume [282.9127]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.2294  0.0000  0.7440  1.0
  La  La1  2  0.2299  0.5000  0.2418  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  1  0.0000  0.5000  0.5000  1.0
  I  I4  1  0.5000  0.0000  0.5000  1.0
  I  I5  1  0.5000  0.5000  0.0000  1.0
]