data_[Tb12Pm4Y20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.3446]
_cell_length_b [6.2343]
_cell_length_c [11.2713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3PmY5]
_chemical_formula_sum '[Tb12 Pm4 Y20]'
_cell_volume [1218.7468]
_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  0.1637  0.2723  0.4170  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Pm  Pm2  4  0.0000  0.1236  0.2500  1
  Y  Y3  8  0.1625  0.2782  0.0825  1
  Y  Y4  8  0.1746  0.2042  0.7492  1
  Y  Y5  4  0.0000  0.4031  0.7500  1
]