data_[Nd12Tl12Zn4]
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 [11.6556]
_cell_length_b [4.7143]
_cell_length_c [15.5322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Tl3Zn]
_chemical_formula_sum '[Nd12 Tl12 Zn4]'
_cell_volume [804.8265]
_cell_formula_units_Z [4]
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  0.0369  0.5000  0.3850  1
  Nd  Nd1  4  0.0966  0.5000  0.9194  1
  Nd  Nd2  4  0.2404  0.5000  0.2270  1
  Tl  Tl3  4  0.0237  0.0000  0.2358  1
  Tl  Tl4  4  0.1256  0.0000  0.0747  1
  Tl  Tl5  4  0.1432  0.0000  0.5418  1
  Zn  Zn6  4  0.2424  0.0000  0.3828  1
]