data_[Li2Nb2Al1Sn1Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4244]
_cell_length_b [4.4244]
_cell_length_c [6.2828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2Nb2AlSnOs2]
_chemical_formula_sum '[Li2 Nb2 Al1 Sn1 Os2]'
_cell_volume [122.9879]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.2619  1
  Nb  Nb1  1  0.0000  0.0000  0.0000  1
  Nb  Nb2  1  0.5000  0.5000  0.5000  1
  Al  Al3  1  0.0000  0.0000  0.5000  1
  Sn  Sn4  1  0.5000  0.5000  0.0000  1
  Os  Os5  2  0.0000  0.5000  0.7415  1
]