data_[Nd6Tl2Co6]
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 [P6_3/m]
_cell_length_a [10.0675]
_cell_length_b [10.0675]
_cell_length_c [3.8555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Nd3TlCo3]
_chemical_formula_sum '[Nd6 Tl2 Co6]'
_cell_volume [338.4218]
_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  6  0.0668  0.6911  0.7500  1
  Tl  Tl1  2  0.3333  0.6667  0.2500  1
  Co  Co2  6  0.0242  0.8723  0.2500  1
]