data_[Rb4Nd4P16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  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 [10.6469]
_cell_length_b [9.1706]
_cell_length_c [13.0629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbNd(PO3)4]
_chemical_formula_sum '[Rb4 Nd4 P16 O48]'
_cell_volume [1044.2225]
_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
[
  Rb  Rb0  4  0.2406  0.5708  0.5415  1
  Nd  Nd1  4  0.3154  0.2267  0.3159  1
  P  P2  4  0.0262  0.5275  0.7753  1
  P  P3  4  0.1986  0.1030  0.5211  1
  P  P4  4  0.3201  0.6728  0.8590  1
  P  P5  4  0.3847  0.5943  0.2399  1
  O  O6  4  0.0417  0.0413  0.3969  1
  O  O7  4  0.0678  0.0830  0.2140  1
  O  O8  4  0.1302  0.0948  0.8042  1
  O  O9  4  0.1534  0.6575  0.8357  1
  O  O10  4  0.1621  0.2059  0.5901  1
  O  O11  4  0.2627  0.5507  0.0956  1
  O  O12  4  0.2753  0.7070  0.2515  1
  O  O13  4  0.3005  0.1553  0.4842  1
  O  O14  4  0.3621  0.5348  0.8237  1
  O  O15  4  0.4234  0.0351  0.8235  1
  O  O16  4  0.4242  0.7399  0.9859  1
  O  O17  4  0.4864  0.1784  0.2475  1
]