data_[Tb4Ti4Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ti  1.5400  1.4000  0.8517
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [6.8451]
_cell_length_b [6.8451]
_cell_length_c [6.1414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [92]
_chemical_formula_structural [TbTiRe]
_chemical_formula_sum '[Tb4 Ti4 Re4]'
_cell_volume [287.7568]
_cell_formula_units_Z [4]
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  4  0.2412  0.2412  0.5000  1
  Ti  Ti1  4  0.1975  0.8025  0.2500  1
  Re  Re2  4  0.0492  0.0492  0.0000  1
]