data_[Li2Fe4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8749]
_cell_length_b [2.6587]
_cell_length_c [4.4103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiFe2Os]
_chemical_formula_sum '[Li2 Fe4 Os2]'
_cell_volume [99.7965]
_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
[
  Li  Li0  2  0.4936  0.0000  0.4701  1
  Fe  Fe1  2  0.0077  0.0000  0.9791  1
  Fe  Fe2  2  0.2354  0.5000  0.2658  1
  Os  Os3  2  0.2632  0.0000  0.7850  1
]