data_[Ta9Be24Ni3]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5113]
_cell_length_b [4.5113]
_cell_length_c [22.1008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ta3Be8Ni]
_chemical_formula_sum '[Ta9 Be24 Ni3]'
_cell_volume [389.5376]
_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  0.0047  1
  Ta  Ta1  3  0.0000  0.0000  0.4974  1
  Ta  Ta2  3  0.0000  0.0000  0.6243  1
  Be  Be3  9  0.0014  0.5007  0.0625  1
  Be  Be4  9  0.0073  0.5037  0.5616  1
  Be  Be5  3  0.0000  0.0000  0.3133  1
  Be  Be6  3  0.0000  0.0000  0.8128  1
  Ni  Ni7  3  0.0000  0.0000  0.1250  1
]