data_[Ca6Pm18Nd6]
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-3]
_cell_length_a [6.1879]
_cell_length_b [6.1879]
_cell_length_c [35.8975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CaPm3Nd]
_chemical_formula_sum '[Ca6 Pm18 Nd6]'
_cell_volume [1190.3660]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.3338  1
  Pm  Pm1  18  0.0001  0.6641  0.7531  1
  Nd  Nd2  6  0.0000  0.0000  0.1664  1
]