data_[Nd8Tl4Zn2]
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 [17.2943]
_cell_length_b [3.7644]
_cell_length_c [7.5493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Tl2Zn]
_chemical_formula_sum '[Nd8 Tl4 Zn2]'
_cell_volume [442.3710]
_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  0.0879  0.0000  0.7358  1
  Nd  Nd1  4  0.1189  0.5000  0.3295  1
  Tl  Tl2  4  0.2433  0.0000  0.1894  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
]