data_[La4Tb5In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.6725]
_cell_length_b [4.9065]
_cell_length_c [18.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [La4Tb5In]
_chemical_formula_sum '[La4 Tb5 In1]'
_cell_volume [325.3582]
_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
[
  La  La0  2  0.0000  0.0000  0.1968  1
  La  La1  2  0.0000  0.0000  0.3961  1
  Tb  Tb2  2  0.5000  0.5000  0.0878  1
  Tb  Tb3  2  0.5000  0.5000  0.2903  1
  Tb  Tb4  1  0.5000  0.5000  0.5000  1
  In  In5  1  0.0000  0.0000  0.0000  1
]