data_[Nd36Er3Tl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.7826]
_cell_length_b [11.7826]
_cell_length_c [14.9215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12ErTl6]
_chemical_formula_sum '[Nd36 Er3 Tl18]'
_cell_volume [1794.0185]
_cell_formula_units_Z [3]
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
[
  Nd  Nd0  18  0.0624  0.8454  0.4088  1
  Nd  Nd1  18  0.0745  0.1893  0.8049  1
  Er  Er2  3  0.0000  0.0000  0.0000  1
  Tl  Tl3  18  0.0309  0.4413  0.7158  1
]