data_[Nd10Er8Tl8]
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 [I4/m]
_cell_length_a [12.6522]
_cell_length_b [12.6522]
_cell_length_c [5.0393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Nd5(ErTl)4]
_chemical_formula_sum '[Nd10 Er8 Tl8]'
_cell_volume [806.6812]
_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  8  0.1064  0.1940  0.5000  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Er  Er2  8  0.0938  0.4013  0.0000  1
  Tl  Tl3  8  0.0937  0.7603  0.0000  1
]