data_[Na4Sm4P8H16C4O28]
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
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7871]
_cell_length_b [15.2863]
_cell_length_c [6.7461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaSmP2H4CO7]
_chemical_formula_sum '[Na4 Sm4 P8 H16 C4 O28]'
_cell_volume [699.7760]
_cell_formula_units_Z [4]
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  0.1961  0.5273  0.6349  1
  Sm  Sm1  4  0.3261  0.0996  0.6014  1
  P  P2  4  0.1793  0.5952  0.1325  1
  P  P3  4  0.4687  0.1600  0.1061  1
  H  H4  4  0.0076  0.6887  0.7564  1
  H  H5  4  0.1328  0.2106  0.9288  1
  H  H6  4  0.1875  0.7021  0.3905  1
  H  H7  4  0.3155  0.7387  0.1768  1
  C  C8  4  0.2924  0.6828  0.2761  1
  O  O9  4  0.0044  0.1342  0.4688  1
  O  O10  4  0.0696  0.1626  0.8532  1
  O  O11  4  0.1383  0.5169  0.2715  1
  O  O12  4  0.3275  0.5607  0.9761  1
  O  O13  4  0.3546  0.1013  0.2478  1
  O  O14  4  0.3692  0.2499  0.0721  1
  O  O15  4  0.4942  0.6134  0.5933  1
]