data_[Na4Pr4P16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1794]
_cell_length_b [13.0156]
_cell_length_c [12.1650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaPr(PO3)4]
_chemical_formula_sum '[Na4 Pr4 P16 O48]'
_cell_volume [920.5261]
_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  0.4331  0.7175  0.9331  1
  Pr  Pr1  4  0.0400  0.7113  0.0244  1
  P  P2  4  0.0857  0.5884  0.3102  1
  P  P3  4  0.1653  0.1293  0.8112  1
  P  P4  4  0.3776  0.1143  0.2631  1
  P  P5  4  0.4994  0.0994  0.7457  1
  O  O6  4  0.0253  0.6296  0.8374  1
  O  O7  4  0.1613  0.6049  0.2200  1
  O  O8  4  0.1638  0.0238  0.8800  1
  O  O9  4  0.1658  0.6637  0.4227  1
  O  O10  4  0.1869  0.2159  0.8993  1
  O  O11  4  0.1898  0.0779  0.2869  1
  O  O12  4  0.2845  0.1945  0.1554  1
  O  O13  4  0.2960  0.6667  0.7072  1
  O  O14  4  0.3106  0.1002  0.5959  1
  O  O15  4  0.4087  0.0145  0.1997  1
  O  O16  4  0.4110  0.1247  0.8365  1
  O  O17  4  0.4112  0.6393  0.0984  1
]