data_[Tb6Y1In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [10.1926]
_cell_length_b [10.1926]
_cell_length_c [3.6536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tb6YIn4]
_chemical_formula_sum '[Tb6 Y1 In4]'
_cell_volume [328.7186]
_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  3  0.1903  0.3806  0.5000  1.0
  Tb  Tb1  3  0.5386  0.0771  0.0000  1.0
  Y  Y2  1  0.0000  0.0000  0.0000  1.0
  In  In3  3  0.3197  0.1598  0.5000  1.0
  In  In4  1  0.3333  0.6667  0.0000  1.0
]