data_[Nd16Tl4Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9170]
_cell_length_b [7.1737]
_cell_length_c [6.1390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4TlCo]
_chemical_formula_sum '[Nd16 Tl4 Co4]'
_cell_volume [694.3090]
_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  0.1163  0.2526  0.6145  1.0
  Nd  Nd1  4  0.0000  0.2250  0.0000  1.0
  Nd  Nd2  4  0.1862  0.5000  0.1877  1.0
  Tl  Tl3  4  0.1968  0.0000  0.1965  1.0
  Co  Co4  4  0.0044  0.5000  0.2933  1.0
]