data_[Nd12Tl6Co2]
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 [P2_1/c]
_cell_length_a [5.5562]
_cell_length_b [9.3179]
_cell_length_c [12.7468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Tl3Co]
_chemical_formula_sum '[Nd12 Tl6 Co2]'
_cell_volume [594.4325]
_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  4  0.0519  0.6910  0.0587  1.0
  Nd  Nd1  4  0.2403  0.0090  0.2296  1.0
  Nd  Nd2  4  0.4160  0.6528  0.4297  1.0
  Tl  Tl3  4  0.2373  0.1548  0.7465  1.0
  Tl  Tl4  2  0.5000  0.0000  0.5000  1.0
  Co  Co5  2  0.0000  0.0000  0.0000  1.0
]