data_[Be39Co6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8172]
_cell_length_b [5.8172]
_cell_length_c [15.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Be13Co2]
_chemical_formula_sum '[Be39 Co6]'
_cell_volume [459.6789]
_cell_formula_units_Z [3]
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  18  0.0852  0.5426  0.8127  1
  Be  Be1  18  0.0907  0.5454  0.0569  1
  Be  Be2  3  -0.0000  -0.0000  0.5000  1
  Co  Co3  6  0.0000  0.0000  0.2646  1
]