data_[La4Ho24Tl12]
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 [Cmc2_1]
_cell_length_a [11.4353]
_cell_length_b [12.7966]
_cell_length_c [8.5516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La(Ho2Tl)3]
_chemical_formula_sum '[La4 Ho24 Tl12]'
_cell_volume [1251.3845]
_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
[
  La  La0  4  0.0000  0.3145  0.9987  1
  Ho  Ho1  8  0.1715  0.4361  0.3390  1
  Ho  Ho2  8  0.2441  0.1816  0.1939  1
  Ho  Ho3  4  0.0000  0.0288  0.8028  1
  Ho  Ho4  4  0.0000  0.2327  0.4249  1
  Tl  Tl5  8  0.1903  0.0865  0.5408  1
  Tl  Tl6  4  0.0000  0.4255  0.6410  1
]