data_[Nd20Tl8Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.6890]
_cell_length_b [8.0588]
_cell_length_c [7.9538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd5(TlGa)2]
_chemical_formula_sum '[Nd20 Tl8 Ga8]'
_cell_volume [1069.7224]
_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  16  0.1307  0.1896  0.3217  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Tl  Tl2  8  0.2208  0.0000  0.0000  1
  Ga  Ga3  8  0.0000  0.1135  0.6158  1
]