data_[Li2V2Fe1Si2Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0501]
_cell_length_b [4.0501]
_cell_length_c [5.7759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2V2FeSi2Os]
_chemical_formula_sum '[Li2 V2 Fe1 Si2 Os1]'
_cell_volume [94.7424]
_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  1  0.0000  0.0000  0.5000  1
  Li  Li1  1  0.5000  0.5000  0.0000  1
  V  V2  2  0.0000  0.5000  0.2371  1
  Fe  Fe3  1  0.0000  0.0000  0.0000  1
  Si  Si4  2  0.0000  0.5000  0.7605  1
  Os  Os5  1  0.5000  0.5000  0.5000  1
]