data_[Er13Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6800]
_cell_length_b [8.4790]
_cell_length_c [8.7850]
_cell_angle_alpha [66.7919]
_cell_angle_beta [78.9336]
_cell_angle_gamma [82.5605]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er13Tl2]
_chemical_formula_sum '[Er13 Tl2]'
_cell_volume [448.0083]
_cell_formula_units_Z [1]
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
[
  Er  Er0  2  0.1203  0.4809  0.7380  1.0
  Er  Er1  2  0.1995  0.2286  0.1512  1.0
  Er  Er2  2  0.2576  0.9396  0.5829  1.0
  Er  Er3  2  0.3063  0.6540  0.9735  1.0
  Er  Er4  2  0.3728  0.4095  0.3887  1.0
  Er  Er5  2  0.4887  0.1461  0.7952  1.0
  Er  Er6  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl7  2  0.0599  0.7701  0.3794  1.0
]