data_[La12Tm4Tl8]
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 [Ibam]
_cell_length_a [6.8912]
_cell_length_b [17.1146]
_cell_length_c [6.8060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La3TmTl2]
_chemical_formula_sum '[La12 Tm4 Tl8]'
_cell_volume [802.7059]
_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  8  0.2492  0.1770  0.0000  1.0
  La  La1  4  0.0000  0.5000  0.2500  1.0
  Tm  Tm2  4  0.0000  0.0000  0.2500  1.0
  Tl  Tl3  8  0.2366  0.1327  0.5000  1.0
]