data_[Na2Fe1P2Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9058]
_cell_length_b [3.9058]
_cell_length_c [6.6690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Na2FeP2Os]
_chemical_formula_sum '[Na2 Fe1 P2 Os1]'
_cell_volume [101.7380]
_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
[
  Na  Na0  2  0.0000  0.5000  0.3563  1
  Fe  Fe1  1  0.0000  0.0000  0.0000  1
  P  P2  2  0.0000  0.5000  0.8169  1
  Os  Os3  1  0.5000  0.5000  0.0000  1
]