data_[La2Tm4Tl2]
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 [P2_1/m]
_cell_length_a [6.8691]
_cell_length_b [5.2281]
_cell_length_c [6.9805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaTm2Tl]
_chemical_formula_sum '[La2 Tm4 Tl2]'
_cell_volume [241.7317]
_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  2  0.1226  0.2500  0.3962  1.0
  Tm  Tm1  2  0.1683  0.2500  0.9172  1.0
  Tm  Tm2  2  0.3745  0.7500  0.2367  1.0
  Tl  Tl3  2  0.3812  0.7500  0.7362  1.0
]