data_[Nd2Fe1Os1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5942]
_cell_length_b [5.0956]
_cell_length_c [7.0317]
_cell_angle_alpha [92.0270]
_cell_angle_beta [90.9230]
_cell_angle_gamma [95.0553]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd2FeOsO8]
_chemical_formula_sum '[Nd2 Fe1 Os1 O8]'
_cell_volume [163.8415]
_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
[
  Nd  Nd0  2  0.3951  0.4782  0.2506  1
  Fe  Fe1  1  0.0000  0.0000  0.5000  1
  Os  Os2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1390  0.7366  0.8248  1
  O  O4  2  0.1791  0.8863  0.2348  1
  O  O5  2  0.2828  0.2824  0.5317  1
  O  O6  2  0.3209  0.2301  0.9584  1
]