data_[Nd6Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5811]
_cell_length_b [4.0617]
_cell_length_c [8.3705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3Os]
_chemical_formula_sum '[Nd6 Os2]'
_cell_volume [246.3977]
_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  2  0.0838  0.7500  0.8621  1.0
  Nd  Nd1  2  0.2013  0.7500  0.4704  1.0
  Nd  Nd2  2  0.4380  0.2500  0.1590  1.0
  Os  Os3  2  0.2648  0.2500  0.7413  1.0
]