data_[Tb16Pr4Sm4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7801]
_cell_length_b [12.1551]
_cell_length_c [9.7822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb4PrSm]
_chemical_formula_sum '[Tb16 Pr4 Sm4]'
_cell_volume [806.1814]
_cell_formula_units_Z [4]
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  8  0.0000  0.3457  0.5711  1
  Tb  Tb1  8  0.2389  0.3971  0.2500  1
  Pr  Pr2  4  0.0000  0.1784  0.2500  1
  Sm  Sm3  4  0.0000  0.0000  0.0000  1
]