data_[Na48Ca12Zr12Si12P24O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [16.2364]
_cell_length_b [9.3667]
_cell_length_c [22.8767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na4CaZrSi(PO6)2]
_chemical_formula_sum '[Na48 Ca12 Zr12 Si12 P24 O144]'
_cell_volume [3479.1000]
_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
[
  Na  Na0  4  0.0075  0.3681  0.2474  1
  Na  Na1  4  0.0138  0.3108  0.9088  1
  Na  Na2  4  0.1449  0.1750  0.4129  1
  Na  Na3  4  0.1609  0.4974  0.8288  1
  Na  Na4  4  0.1757  0.1936  0.7492  1
  Na  Na5  4  0.1758  0.1386  0.0825  1
  Na  Na6  4  0.3142  0.3244  0.2418  1
  Na  Na7  4  0.3336  0.0111  0.1620  1
  Na  Na8  4  0.3432  0.3594  0.9168  1
  Na  Na9  4  0.3458  0.3128  0.5792  1
  Na  Na10  4  0.4771  0.1732  0.0765  1
  Na  Na11  4  0.4988  0.4917  0.9952  1
  Ca  Ca12  4  0.1662  0.4992  0.1817  1
  Ca  Ca13  4  0.3345  0.0026  0.0150  1
  Ca  Ca14  4  0.5000  0.4991  0.3483  1
  Zr  Zr15  4  0.1671  0.4991  0.9834  1
  Zr  Zr16  4  0.3380  0.0011  0.3167  1
  Zr  Zr17  4  0.4972  0.4932  0.1499  1
  Si  Si18  4  0.3180  0.3521  0.0859  1
  Si  Si19  4  0.4865  0.1483  0.9195  1
  Si  Si20  4  0.4980  0.1974  0.2531  1
  P  P21  4  0.0189  0.3439  0.0844  1
  P  P22  4  0.1506  0.1435  0.2509  1
  P  P23  4  0.1637  0.2013  0.5847  1
  P  P24  4  0.1859  0.1533  0.9177  1
  P  P25  4  0.3295  0.2989  0.4182  1
  P  P26  4  0.3518  0.3452  0.7512  1
  O  O27  4  0.0004  0.1810  0.4138  1
  O  O28  4  0.0116  0.2127  0.8114  1
  O  O29  4  0.0182  0.1763  0.0873  1
  O  O30  4  0.0545  0.4099  0.1396  1
  O  O31  4  0.0752  0.4106  0.7471  1
  O  O32  4  0.0762  0.3829  0.0304  1
  O  O33  4  0.0770  0.4377  0.4210  1
  O  O34  4  0.0825  0.1088  0.5874  1
  O  O35  4  0.0980  0.0945  0.9119  1
  O  O36  4  0.1006  0.1200  0.3062  1
  O  O37  4  0.1040  0.0777  0.1964  1
  O  O38  4  0.1518  0.3050  0.5304  1
  O  O39  4  0.1644  0.3053  0.2453  1
  O  O40  4  0.1753  0.2875  0.6402  1
  O  O41  4  0.1827  0.3221  0.9212  1
  O  O42  4  0.2226  0.0900  0.9731  1
  O  O43  4  0.2359  0.0635  0.2542  1
  O  O44  4  0.2385  0.1029  0.5776  1
  O  O45  4  0.2422  0.1186  0.8633  1
  O  O46  4  0.2472  0.3883  0.4206  1
  O  O47  4  0.2646  0.4061  0.7448  1
  O  O48  4  0.2670  0.3798  0.1443  1
  O  O49  4  0.2684  0.4265  0.0282  1
  O  O50  4  0.3186  0.1945  0.3641  1
  O  O51  4  0.3317  0.1810  0.0816  1
  O  O52  4  0.3413  0.2130  0.4738  1
  O  O53  4  0.3468  0.1770  0.7542  1
  O  O54  4  0.3896  0.4065  0.8065  1
  O  O55  4  0.4033  0.4000  0.4117  1
  O  O56  4  0.4086  0.1061  0.2542  1
  O  O57  4  0.4093  0.4389  0.0875  1
  O  O58  4  0.4095  0.3791  0.6969  1
  O  O59  4  0.4305  0.1006  0.5775  1
  O  O60  4  0.4337  0.1231  0.9773  1
  O  O61  4  0.4353  0.0737  0.8618  1
  O  O62  4  0.4861  0.3112  0.1957  1
]