data_[Be16Nb8Co20]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.9709]
_cell_length_b [8.2225]
_cell_length_c [11.8965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Be4Nb2Co5]
_chemical_formula_sum '[Be16 Nb8 Co20]'
_cell_volume [486.2515]
_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  16  0.0000  0.1368  0.3617  1
  Nb  Nb1  8  0.0000  0.0000  0.1357  1
  Co  Co2  8  0.2500  0.2500  0.0000  1
  Co  Co3  8  0.2500  0.2500  0.2500  1
  Co  Co4  4  0.0000  0.0000  0.5000  1
]