data_[Ca6Ac45Pm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.6474]
_cell_length_b [12.6474]
_cell_length_c [19.2224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2Ac15Pm2]
_chemical_formula_sum '[Ca6 Ac45 Pm6]'
_cell_volume [2662.7999]
_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  6  0.0000  0.0000  0.3267  1
  Ac  Ac1  18  0.0000  0.2947  0.0000  1
  Ac  Ac2  18  0.0024  0.5012  0.1426  1
  Ac  Ac3  9  0.0000  0.5000  0.5000  1
  Pm  Pm4  6  0.0000  0.0000  0.0915  1
]