data_[Ca3Pm12H30]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8210]
_cell_length_b [3.8210]
_cell_length_c [47.0621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca(Pm2H5)2]
_chemical_formula_sum '[Ca3 Pm12 H30]'
_cell_volume [595.0462]
_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  6  0.0000  0.0000  0.1998  1
  Pm  Pm2  6  0.0000  0.0000  0.4004  1
  H  H3  6  0.0000  0.0000  0.0505  1
  H  H4  6  0.0000  0.0000  0.1503  1
  H  H5  6  0.0000  0.0000  0.2499  1
  H  H6  6  0.0000  0.0000  0.3511  1
  H  H7  6  0.0000  0.0000  0.4504  1
]