data_[Ce3Pm21Y36]
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-3]
_cell_length_a [12.4398]
_cell_length_b [12.4398]
_cell_length_c [15.1110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CePm7Y12]
_chemical_formula_sum '[Ce3 Pm21 Y36]'
_cell_volume [2025.1116]
_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  0.0652  0.2281  0.9006  1
  Pm  Pm2  3  0.0000  0.0000  0.5000  1
  Y  Y3  18  0.0217  0.5844  0.2113  1
  Y  Y4  18  0.0418  0.8560  0.3111  1
]