data_[La6Tm8Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.3725]
_cell_length_b [7.1331]
_cell_length_c [6.2606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3Tm4Tl]
_chemical_formula_sum '[La6 Tm8 Tl2]'
_cell_volume [507.8625]
_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
[
  La  La0  4  0.2297  0.8609  0.9856  1.0
  La  La1  2  0.0000  0.8637  0.6212  1.0
  Tm  Tm2  4  0.2403  0.3839  0.9749  1.0
  Tm  Tm3  2  0.0000  0.1329  0.1627  1.0
  Tm  Tm4  2  0.0000  0.3721  0.6479  1.0
  Tl  Tl5  2  0.0000  0.5942  0.1623  1.0
]