data_[Nd12Tl8Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7100]
_cell_length_b [6.5577]
_cell_length_c [6.6559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3Tl2Cu]
_chemical_formula_sum '[Nd12 Tl8 Cu4]'
_cell_volume [668.3302]
_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  0.1557  0.1021  0.5890  1
  Nd  Nd1  4  0.0000  0.3685  0.2500  1
  Tl  Tl2  8  0.1681  0.3886  0.0481  1
  Cu  Cu3  4  0.0000  0.1481  0.7500  1
]