data_[Nd4Tl3Zn1]
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 [Pmm2]
_cell_length_a [4.4538]
_cell_length_b [4.6011]
_cell_length_c [11.8337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4Tl3Zn]
_chemical_formula_sum '[Nd4 Tl3 Zn1]'
_cell_volume [242.4998]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1395  1.0
  Nd  Nd1  1  0.0000  0.5000  0.8679  1.0
  Nd  Nd2  1  0.5000  0.0000  0.6436  1.0
  Nd  Nd3  1  0.5000  0.5000  0.3475  1.0
  Tl  Tl4  1  0.0000  0.0000  0.4124  1.0
  Tl  Tl5  1  0.0000  0.5000  0.5896  1.0
  Tl  Tl6  1  0.5000  0.0000  0.9207  1.0
  Zn  Zn7  1  0.5000  0.5000  0.0789  1.0
]