data_[Ca3Pm36Nd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.6252]
_cell_length_b [13.6252]
_cell_length_c [12.9019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca(Pm2Nd)6]
_chemical_formula_sum '[Ca3 Pm36 Nd18]'
_cell_volume [2074.2873]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.0000  1
  Pm  Pm1  18  0.0000  0.2606  0.5000  1
  Pm  Pm2  18  0.0913  0.1826  0.2665  1
  Nd  Nd3  18  0.0396  0.5198  0.6169  1
]