data_[La2Er4Tl2]
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 [7.9178]
_cell_length_b [3.6769]
_cell_length_c [8.4749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaEr2Tl]
_chemical_formula_sum '[La2 Er4 Tl2]'
_cell_volume [246.4089]
_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  0.3452  0.7500  0.8976  1
  Er  Er1  2  0.0867  0.2500  0.1685  1
  Er  Er2  2  0.1725  0.2500  0.5734  1
  Tl  Tl3  2  0.3990  0.7500  0.3311  1
]