data_[Be8Nb4Co4]
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 [Pnma]
_cell_length_a [5.6916]
_cell_length_b [3.6245]
_cell_length_c [8.7124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Be2NbCo]
_chemical_formula_sum '[Be8 Nb4 Co4]'
_cell_volume [179.7295]
_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  0.0849  0.7500  0.8509  1.0
  Be  Be1  4  0.2165  0.2500  0.9516  1.0
  Nb  Nb2  4  0.2355  0.7500  0.1628  1.0
  Co  Co3  4  0.0385  0.2500  0.4005  1.0
]