data_[Cs12Nd12P48O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Cc]
_cell_length_a [15.4066]
_cell_length_b [21.7865]
_cell_length_c [13.3379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CsNd(PO3)4]
_chemical_formula_sum '[Cs12 Nd12 P48 O144]'
_cell_volume [3655.6838]
_cell_formula_units_Z [12]
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
[
  Cs  Cs0  4  0.0038  0.0011  0.7375  1
  Cs  Cs1  4  0.0140  0.7488  0.7673  1
  Cs  Cs2  4  0.1150  0.3827  0.9950  1
  Nd  Nd3  4  0.0642  0.1886  0.6272  1
  Nd  Nd4  4  0.1865  0.4377  0.3745  1
  Nd  Nd5  4  0.2510  0.1243  0.2484  1
  P  P6  4  0.0801  0.8397  0.4148  1
  P  P7  4  0.1575  0.6628  0.0802  1
  P  P8  4  0.2002  0.1199  0.4935  1
  P  P9  4  0.2176  0.0439  0.6806  1
  P  P10  4  0.2194  0.4599  0.6739  1
  P  P11  4  0.2864  0.2927  0.3197  1
  P  P12  4  0.2969  0.2903  0.8265  1
  P  P13  4  0.3281  0.4133  0.9207  1
  P  P14  4  0.4157  0.0894  0.5855  1
  P  P15  4  0.4165  0.0025  0.2401  1
  P  P16  4  0.4266  0.2471  0.2591  1
  P  P17  4  0.4551  0.6298  0.0055  1
  O  O18  4  0.0216  0.3897  0.1943  1
  O  O19  4  0.0321  0.4916  0.3405  1
  O  O20  4  0.0322  0.2295  0.8912  1
  O  O21  4  0.0518  0.1414  0.1323  1
  O  O22  4  0.0749  0.8606  0.3047  1
  O  O23  4  0.0758  0.7071  0.0619  1
  O  O24  4  0.1400  0.4015  0.6292  1
  O  O25  4  0.1461  0.1706  0.5141  1
  O  O26  4  0.1669  0.3502  0.4760  1
  O  O27  4  0.1712  0.1079  0.3671  1
  O  O28  4  0.1712  0.4877  0.1991  1
  O  O29  4  0.1798  0.0193  0.1840  1
  O  O30  4  0.1811  0.1586  0.0413  1
  O  O31  4  0.1828  0.0980  0.7174  1
  O  O32  4  0.1835  0.0548  0.5408  1
  O  O33  4  0.2143  0.3471  0.2786  1
  O  O34  4  0.2219  0.2390  0.8000  1
  O  O35  4  0.2452  0.2297  0.3167  1
  O  O36  4  0.2520  0.4690  0.5888  1
  O  O37  4  0.2618  0.4559  0.9382  1
  O  O38  4  0.2622  0.3487  0.8727  1
  O  O39  4  0.2745  0.3154  0.6973  1
  O  O40  4  0.3268  0.4363  0.8037  1
  O  O41  4  0.3278  0.1313  0.5863  1
  O  O42  4  0.3340  0.2936  0.2375  1
  O  O43  4  0.3468  0.0451  0.7612  1
  O  O44  4  0.3718  0.0655  0.2210  1
  O  O45  4  0.3795  0.4207  0.4838  1
  O  O46  4  0.3910  0.3047  0.4588  1
  O  O47  4  0.3915  0.0206  0.6092  1
  O  O48  4  0.3932  0.0916  0.4600  1
  O  O49  4  0.4049  0.1843  0.2849  1
  O  O50  4  0.4148  0.2829  0.9109  1
  O  O51  4  0.4413  0.2594  0.1595  1
  O  O52  4  0.4416  0.4011  0.0249  1
  O  O53  4  0.4894  0.3811  0.4124  1
]