data_[Cs6P14Pb4O42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7381]
_cell_length_b [7.7762]
_cell_length_c [21.8849]
_cell_angle_alpha [86.2520]
_cell_angle_beta [83.1362]
_cell_angle_gamma [66.1268]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs3P7Pb2O21]
_chemical_formula_sum '[Cs6 P14 Pb4 O42]'
_cell_volume [1040.8896]
_cell_formula_units_Z [2]
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  2  0.1196  0.3218  0.2329  1
  Cs  Cs1  2  0.2451  0.7857  0.8867  1
  Cs  Cs2  2  0.3039  0.7974  0.4226  1
  P  P3  2  0.0140  0.3325  0.9339  1
  P  P4  2  0.0449  0.5879  0.5917  1
  P  P5  2  0.0504  0.8757  0.2684  1
  P  P6  2  0.1932  0.2517  0.5160  1
  P  P7  2  0.2835  0.2735  0.0383  1
  P  P8  2  0.3624  0.1522  0.7463  1
  P  P9  2  0.4669  0.5503  0.2467  1
  Pb  Pb10  2  0.3943  0.8335  0.1144  1
  Pb  Pb11  2  0.4175  0.8114  0.6241  1
  O  O12  2  0.0082  0.7008  0.5259  1
  O  O13  2  0.0393  0.0030  0.6762  1
  O  O14  2  0.0435  0.8162  0.0894  1
  O  O15  2  0.0662  0.3791  0.5758  1
  O  O16  2  0.0988  0.2565  0.0014  1
  O  O17  2  0.1017  0.2305  0.7445  1
  O  O18  2  0.1106  0.9594  0.2092  1
  O  O19  2  0.1564  0.3288  0.3647  1
  O  O20  2  0.1684  0.4041  0.8973  1
  O  O21  2  0.2169  0.4967  0.0447  1
  O  O22  2  0.2510  0.0518  0.5369  1
  O  O23  2  0.2546  0.1900  0.1011  1
  O  O24  2  0.2564  0.6891  0.2892  1
  O  O25  2  0.2610  0.5738  0.6082  1
  O  O26  2  0.3575  0.3632  0.7473  1
  O  O27  2  0.3579  0.3193  0.4839  1
  O  O28  2  0.4139  0.5605  0.1814  1
  O  O29  2  0.4281  0.0505  0.8060  1
  O  O30  2  0.4488  0.6428  0.7250  1
  O  O31  2  0.4801  0.0591  0.6871  1
  O  O32  2  0.4949  0.8002  0.9968  1
]