data_[Tm3Be51Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4667]
_cell_length_b [7.4667]
_cell_length_c [10.8750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TmBe17Ni]
_chemical_formula_sum '[Tm3 Be51 Ni3]'
_cell_volume [525.0765]
_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
[
  Tm  Tm0  3  0.0000  0.0000  0.3423  1
  Be  Be1  18  0.0427  0.3676  0.6656  1
  Be  Be2  9  0.1705  0.3409  0.1771  1
  Be  Be3  9  0.1719  0.3438  0.8359  1
  Be  Be4  9  0.1766  0.8234  0.4821  1
  Be  Be5  3  0.0000  0.0000  0.0940  1
  Be  Be6  3  0.0000  0.0000  0.8991  1
  Ni  Ni7  3  0.0000  0.0000  0.6856  1
]