data_[Tm6Be36Cu3Ni9]
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
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0247]
_cell_length_b [7.0247]
_cell_length_c [17.2554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm2Be12CuNi3]
_chemical_formula_sum '[Tm6 Be36 Cu3 Ni9]'
_cell_volume [737.4157]
_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  6  0.0000  0.0000  0.4016  1
  Be  Be1  18  0.0182  0.5091  0.6262  1
  Be  Be2  18  0.1013  0.2026  0.2390  1
  Cu  Cu3  3  0.0000  0.0000  0.0000  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]