data_[Be8Nb6Co4]
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 [C2/m]
_cell_length_a [9.0307]
_cell_length_b [3.6402]
_cell_length_c [7.0711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be4Nb3Co2]
_chemical_formula_sum '[Be8 Nb6 Co4]'
_cell_volume [217.5837]
_cell_formula_units_Z [2]
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  0.0787  0.0000  0.4050  1
  Be  Be1  4  0.2198  0.5000  0.0654  1
  Nb  Nb2  4  0.1339  0.5000  0.6966  1
  Nb  Nb3  2  0.0000  0.0000  0.0000  1
  Co  Co4  4  0.1823  0.5000  0.3543  1
]