data_[Li9Pm3S12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.2807]
_cell_length_b [10.2807]
_cell_length_c [7.5860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Li3Pm(SO3)4]
_chemical_formula_sum '[Li9 Pm3 S12 O36]'
_cell_volume [694.3719]
_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
[
  Li  Li0  9  0.0000  0.5793  0.0000  1
  Pm  Pm1  3  0.0000  0.0000  0.0000  1
  S  S2  9  0.0000  0.3915  0.5000  1
  S  S3  3  0.0000  0.0000  0.5000  1
  O  O4  18  0.0562  0.2074  0.1902  1
  O  O5  9  0.0000  0.5392  0.5000  1
  O  O6  9  0.0000  0.8606  0.5000  1
]