data_[Ba2Tb2Gd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  Gd  1.2000  1.8000  1.0750
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7775]
_cell_length_b [3.7775]
_cell_length_c [16.5625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [BaTbGd]
_chemical_formula_sum '[Ba2 Tb2 Gd2]'
_cell_volume [236.3443]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.0015  1
  Tb  Tb1  2  0.0000  0.0000  0.6816  1
  Gd  Gd2  2  0.0000  0.0000  0.3169  1
]