data_[Nd4Y2Sc2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9947]
_cell_length_b [10.0081]
_cell_length_c [7.0001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Nd2YScTl2]
_chemical_formula_sum '[Nd4 Y2 Sc2 Tl4]'
_cell_volume [349.9163]
_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  0.1877  0.8374  1
  Nd  Nd1  2  0.5000  0.0496  0.5598  1
  Y  Y2  2  0.0000  0.4533  0.4577  1
  Sc  Sc3  2  0.5000  0.3110  0.1641  1
  Tl  Tl4  2  0.0000  0.1494  0.2950  1
  Tl  Tl5  2  0.5000  0.3886  0.7315  1
]