data_[Ce3Pm36Y21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.5272]
_cell_length_b [13.5272]
_cell_length_c [12.6834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CePm12Y7]
_chemical_formula_sum '[Ce3 Pm36 Y21]'
_cell_volume [2009.9379]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  3  0.0000  0.0000  0.0000  1
  Pm  Pm1  18  0.0000  0.2577  0.0000  1
  Pm  Pm2  18  0.0440  0.5220  0.1152  1
  Y  Y3  18  0.0879  0.1759  0.7639  1
  Y  Y4  3  0.0000  0.0000  0.5000  1
]