data_[La8Er12Tl16]
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 [Cmce]
_cell_length_a [7.1835]
_cell_length_b [17.0380]
_cell_length_c [9.0474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La2Er3Tl4]
_chemical_formula_sum '[La8 Er12 Tl16]'
_cell_volume [1107.3269]
_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  0.0000  0.1099  0.5784  1.0
  Er  Er1  8  0.2500  0.2173  0.2500  1.0
  Er  Er2  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  8  0.0000  0.1830  0.9567  1.0
  Tl  Tl4  8  0.2500  0.0383  0.2500  1.0
]