data_[Na6Pm2Sc4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pm  1.1300  1.8500  1.1100
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7249]
_cell_length_b [11.6569]
_cell_length_c [7.0319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Pm(ScS3)2]
_chemical_formula_sum '[Na6 Pm2 Sc4 S12]'
_cell_volume [522.1665]
_cell_formula_units_Z [2]
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
[
  Na  Na0  4  0.0000  0.1647  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Pm  Pm2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  4  0.0000  0.3328  0.0000  1
  S  S4  8  0.2500  0.3237  0.7798  1
  S  S5  4  0.2215  0.5000  0.2215  1
]