data_[Tb5Y3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5945]
_cell_length_b [5.7390]
_cell_length_c [12.7941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb5Y3]
_chemical_formula_sum '[Tb5 Y3]'
_cell_volume [263.9313]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4579  1.0
  Tb  Tb1  1  0.0000  0.0000  0.9591  1.0
  Tb  Tb2  1  0.0000  0.5000  0.2909  1.0
  Tb  Tb3  1  0.5000  0.0000  0.2088  1.0
  Tb  Tb4  1  0.5000  0.5000  0.0417  1.0
  Y  Y5  1  0.0000  0.5000  0.7926  1.0
  Y  Y6  1  0.5000  0.0000  0.7076  1.0
  Y  Y7  1  0.5000  0.5000  0.5413  1.0
]