data_[La6Er4Tl8]
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 [C2/m]
_cell_length_a [12.6491]
_cell_length_b [5.0446]
_cell_length_c [10.2413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(ErTl2)2]
_chemical_formula_sum '[La6 Er4 Tl8]'
_cell_volume [563.8093]
_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  4  0.1423  0.5000  0.6884  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Er  Er2  4  0.1460  0.5000  0.3157  1.0
  Tl  Tl3  4  0.0687  0.0000  0.4039  1.0
  Tl  Tl4  4  0.1886  0.5000  0.0351  1.0
]