data_[La4Er8Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9840]
_cell_length_b [6.6389]
_cell_length_c [11.4555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2Er4Tl]
_chemical_formula_sum '[La4 Er8 Tl2]'
_cell_volume [441.9533]
_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  0.1553  0.7500  0.4304  1
  La  La1  2  0.4362  0.2500  0.0231  1
  Er  Er2  4  0.3439  0.0082  0.7132  1
  Er  Er3  2  0.1238  0.7500  0.1291  1
  Er  Er4  2  0.2969  0.2500  0.4311  1
  Tl  Tl5  2  0.0102  0.2500  0.1632  1
]