data_[Nd6Si8Os8]
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 [Immm]
_cell_length_a [4.0647]
_cell_length_b [4.2043]
_cell_length_c [24.7959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3(SiOs)4]
_chemical_formula_sum '[Nd6 Si8 Os8]'
_cell_volume [423.7426]
_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  0.0000  0.5000  0.3554  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.0000  0.0000  0.4517  1
  Si  Si3  4  0.0000  0.5000  0.1985  1
  Os  Os4  4  0.0000  0.0000  0.2494  1
  Os  Os5  4  0.0000  0.5000  0.0992  1
]