data_[Nd12Tl2Ru4Br6]
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
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3167]
_cell_length_b [12.6854]
_cell_length_c [8.2372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6TlRu2Br3]
_chemical_formula_sum '[Nd12 Tl2 Ru4 Br6]'
_cell_volume [730.3745]
_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  8  0.2457  0.3135  0.7957  1
  Nd  Nd1  4  0.1952  0.5000  0.2043  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  4  0.0000  0.3335  0.0000  1
  Br  Br4  4  0.0000  0.1660  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]