data_[Ta3Be51Co3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2546]
_cell_length_b [7.2546]
_cell_length_c [10.6403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TaBe17Co]
_chemical_formula_sum '[Ta3 Be51 Co3]'
_cell_volume [484.9613]
_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
[
  Ta  Ta0  3  0.0000  0.0000  0.3381  1
  Be  Be1  18  0.0358  0.3614  0.6667  1
  Be  Be2  9  0.1702  0.3405  0.4825  1
  Be  Be3  9  0.1724  0.3448  0.8378  1
  Be  Be4  9  0.1741  0.3482  0.1786  1
  Be  Be5  3  0.0000  0.0000  0.0974  1
  Be  Be6  3  0.0000  0.0000  0.8968  1
  Co  Co7  3  0.0000  0.0000  0.6708  1
]