data_[Tb3Y1]
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 [3.6506]
_cell_length_b [5.6487]
_cell_length_c [6.3489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb3Y]
_chemical_formula_sum '[Tb3 Y1]'
_cell_volume [130.9215]
_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  0.5000  0.3336  1.0
  Tb  Tb1  1  0.5000  0.0000  0.4999  1.0
  Tb  Tb2  1  0.5000  0.5000  0.8325  1.0
  Y  Y3  1  0.0000  0.0000  0.0005  1.0
]