data_[Ce3Pm36Dy21]
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
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [19.5979]
_cell_length_b [19.5979]
_cell_length_c [6.1575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CePm12Dy7]
_chemical_formula_sum '[Ce3 Pm36 Dy21]'
_cell_volume [2048.1003]
_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  0.4128  0.5000  1
  Pm  Pm2  18  0.0963  0.5482  0.9716  1
  Dy  Dy3  18  0.0806  0.1613  0.7981  1
  Dy  Dy4  3  0.0000  0.0000  0.5000  1
]