data_[Tb3Be51V3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4915]
_cell_length_b [7.4915]
_cell_length_c [10.9356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbBe17V]
_chemical_formula_sum '[Tb3 Be51 V3]'
_cell_volume [531.5084]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.3390  1
  Be  Be1  18  0.0470  0.3748  0.6669  1
  Be  Be2  9  0.0025  0.5012  0.4986  1
  Be  Be3  9  0.1701  0.3402  0.4906  1
  Be  Be4  9  0.1705  0.3409  0.1778  1
  Be  Be5  3  0.0000  0.0000  0.0916  1
  Be  Be6  3  0.0000  0.0000  0.8984  1
  V  V7  3  0.0000  0.0000  0.6687  1
]