data_[Na2Sm4Pa2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0464]
_cell_length_b [7.0779]
_cell_length_c [13.7834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [NaSm2PaS5]
_chemical_formula_sum '[Na2 Sm4 Pa2 S10]'
_cell_volume [492.3082]
_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  2  0.0000  0.5000  0.0000  1
  Sm  Sm1  4  0.0000  0.0000  0.2023  1
  Pa  Pa2  2  0.0000  0.5000  0.5000  1
  S  S3  8  0.0000  0.2590  0.3502  1
  S  S4  2  0.0000  0.0000  0.0000  1
]