data_[Nd16Ni4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7707]
_cell_length_b [5.1488]
_cell_length_c [6.7879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ni2Os]
_chemical_formula_sum '[Nd16 Ni4 Os2]'
_cell_volume [608.7586]
_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  0.0404  0.0000  0.7915  1.0
  Nd  Nd1  4  0.0866  0.5000  0.4307  1.0
  Nd  Nd2  4  0.1686  0.5000  0.9689  1.0
  Nd  Nd3  4  0.2006  0.0000  0.3379  1.0
  Ni  Ni4  4  0.1994  0.0000  0.7375  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]