data_[Be8Nb4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Nb  1.6000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6698]
_cell_length_b [3.1917]
_cell_length_c [9.2705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Be2NbOs]
_chemical_formula_sum '[Be8 Nb4 Os4]'
_cell_volume [197.3473]
_cell_formula_units_Z [4]
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
[
  Be  Be0  4  0.1477  0.2500  0.8249  1
  Be  Be1  4  0.2481  0.7500  0.9397  1
  Nb  Nb2  4  0.1562  0.2500  0.1400  1
  Os  Os3  4  0.0137  0.7500  0.3855  1
]