data_[Nd16Tl6Os4]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1458]
_cell_length_b [8.1272]
_cell_length_c [5.2563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Tl3Os2]
_chemical_formula_sum '[Nd16 Tl6 Os4]'
_cell_volume [775.1410]
_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  0.1743  0.2801  0.7480  1
  Nd  Nd1  4  0.0761  0.5000  0.2680  1
  Nd  Nd2  4  0.1616  0.0000  0.2270  1
  Tl  Tl3  4  0.0000  0.1959  0.0000  1
  Tl  Tl4  2  0.0000  0.0000  0.5000  1
  Os  Os5  4  0.2288  0.5000  0.2458  1
]