data_[Nd12Si12Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1142]
_cell_length_b [4.3212]
_cell_length_c [13.9921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Si3Os]
_chemical_formula_sum '[Nd12 Si12 Os4]'
_cell_volume [623.3186]
_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  4  0.0170  0.5000  0.3744  1
  Nd  Nd1  4  0.1018  0.5000  0.9198  1
  Nd  Nd2  4  0.2475  0.5000  0.2284  1
  Si  Si3  4  0.0615  0.0000  0.2416  1
  Si  Si4  4  0.1061  0.0000  0.0742  1
  Si  Si5  4  0.1472  0.0000  0.5438  1
  Os  Os6  4  0.2445  0.0000  0.4149  1
]