data_[Nd16Tl8As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2504]
_cell_length_b [11.1628]
_cell_length_c [18.1267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd4Tl2As]
_chemical_formula_sum '[Nd16 Tl8 As4]'
_cell_volume [860.0550]
_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  8  0.0000  0.1196  0.6417  1
  Nd  Nd1  4  0.0000  0.1658  0.2500  1
  Nd  Nd2  4  0.0000  0.5000  0.0000  1
  Tl  Tl3  8  0.0000  0.1950  0.0611  1
  As  As4  4  0.0000  0.4515  0.2500  1
]