data_[La2Ho3Tl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.9704]
_cell_length_b [5.0757]
_cell_length_c [9.4539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [La2(HoTl)3]
_chemical_formula_sum '[La2 Ho3 Tl3]'
_cell_volume [238.5070]
_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  0.0000  0.0000  0.2513  1.0
  Ho  Ho1  2  0.5000  0.5000  0.2708  1.0
  Ho  Ho2  1  0.5000  0.0000  0.0000  1.0
  Tl  Tl3  1  0.0000  0.5000  0.0000  1.0
  Tl  Tl4  1  0.0000  0.5000  0.5000  1.0
  Tl  Tl5  1  0.5000  0.0000  0.5000  1.0
]