data_[Nd2Tl4Ag2Sb4]
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
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7692]
_cell_length_b [10.2662]
_cell_length_c [7.5747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NdTl2AgSb2]
_chemical_formula_sum '[Nd2 Tl4 Ag2 Sb4]'
_cell_volume [370.8660]
_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  2  0.0000  0.4637  0.0001  1.0
  Tl  Tl1  2  0.0000  0.1372  0.3462  1.0
  Tl  Tl2  2  0.5000  0.1202  0.0053  1.0
  Ag  Ag3  2  0.5000  0.3501  0.6676  1.0
  Sb  Sb4  2  0.0000  0.2156  0.7504  1.0
  Sb  Sb5  2  0.5000  0.3810  0.2759  1.0
]