data_[Nd16Tl4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5033]
_cell_length_b [5.3355]
_cell_length_c [6.9403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Tl2Zn]
_chemical_formula_sum '[Nd16 Tl4 Zn2]'
_cell_volume [696.8949]
_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  0.0129  0.0000  0.7766  1.0
  Nd  Nd1  4  0.0918  0.5000  0.4683  1.0
  Nd  Nd2  4  0.1548  0.5000  0.9847  1.0
  Nd  Nd3  4  0.2067  0.0000  0.3087  1.0
  Tl  Tl4  4  0.1788  0.0000  0.7473  1.0
  Zn  Zn5  2  0.0000  0.5000  0.0000  1.0
]