data_[Nd4Er16Tl2]
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 [C2/m]
_cell_length_a [18.0175]
_cell_length_b [4.9281]
_cell_length_c [7.8539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Er8Tl]
_chemical_formula_sum '[Nd4 Er16 Tl2]'
_cell_volume [672.5657]
_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
[
  Nd  Nd0  4  0.2213  0.0000  0.6332  1.0
  Er  Er1  4  0.0443  0.0000  0.7222  1.0
  Er  Er2  4  0.0882  0.5000  0.4432  1.0
  Er  Er3  4  0.1338  0.0000  0.1736  1.0
  Er  Er4  4  0.1806  0.5000  0.9095  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]