data_[Tb3Be3Tl3]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6783]
_cell_length_b [6.6783]
_cell_length_c [5.1255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [TbBeTl]
_chemical_formula_sum '[Tb3 Be3 Tl3]'
_cell_volume [197.9681]
_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  2  0.3333  0.6667  0.5000  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Be  Be2  3  0.0000  0.8148  0.5000  1
  Tl  Tl3  3  0.0000  0.5258  0.0000  1
]