data_[Be24Nb9Cu3]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5596]
_cell_length_b [4.5596]
_cell_length_c [22.1360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be8Nb3Cu]
_chemical_formula_sum '[Be24 Nb9 Cu3]'
_cell_volume [398.5449]
_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  9  0.1675  0.3349  0.2722  1
  Be  Be1  9  0.1707  0.3414  0.7713  1
  Be  Be2  3  0.0000  0.0000  0.1858  1
  Be  Be3  3  0.0000  0.0000  0.6875  1
  Nb  Nb4  3  0.0000  0.0000  0.3758  1
  Nb  Nb5  3  0.0000  0.0000  0.5024  1
  Nb  Nb6  3  0.0000  0.0000  0.9952  1
  Cu  Cu7  3  0.0000  0.0000  0.8729  1
]