data_[Li16Os16N32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.6448]
_cell_length_b [11.4842]
_cell_length_c [14.3129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [LiOsN2]
_chemical_formula_sum '[Li16 Os16 N32]'
_cell_volume [927.8508]
_cell_formula_units_Z [16]
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
[
  Li  Li0  8  0.0817  0.6605  0.9784  1
  Li  Li1  8  0.0970  0.0314  0.3072  1
  Os  Os2  8  0.1161  0.5543  0.5664  1
  Os  Os3  8  0.2072  0.7147  0.6868  1
  N  N4  8  0.0549  0.2188  0.2674  1
  N  N5  8  0.2074  0.0184  0.9439  1
  N  N6  8  0.2214  0.7129  0.5503  1
  N  N7  8  0.2497  0.5441  0.6912  1
]