data_[Sr14Ca4Al6O24F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7435]
_cell_length_b [7.3085]
_cell_length_c [17.4960]
_cell_angle_alpha [82.1621]
_cell_angle_beta [89.2310]
_cell_angle_gamma [63.0371]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr7Ca2Al3(O4F)3]
_chemical_formula_sum '[Sr14 Ca4 Al6 O24 F6]'
_cell_volume [760.2387]
_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
[
  Sr  Sr0  1  0.0576  0.2213  0.3895  1
  Sr  Sr1  1  0.1669  0.6665  0.9157  1
  Sr  Sr2  1  0.1682  0.6681  0.4160  1
  Sr  Sr3  1  0.2753  0.1132  0.9431  1
  Sr  Sr4  1  0.2769  0.7768  0.1114  1
  Sr  Sr5  1  0.3926  0.5535  0.7232  1
  Sr  Sr6  1  0.5002  0.0002  0.7499  1
  Sr  Sr7  1  0.5015  0.0016  0.2492  1
  Sr  Sr8  1  0.6091  0.4456  0.2773  1
  Sr  Sr9  1  0.6099  0.1104  0.4453  1
  Sr  Sr10  1  0.7239  0.8884  0.0557  1
  Sr  Sr11  1  0.8346  0.3350  0.5836  1
  Sr  Sr12  1  0.8346  0.3347  0.0826  1
  Sr  Sr13  1  0.9419  0.7783  0.6111  1
  Ca  Ca14  1  0.0511  0.5512  0.2244  1
  Ca  Ca15  1  0.3844  0.8840  0.5579  1
  Ca  Ca16  1  0.7200  0.2202  0.8899  1
  Ca  Ca17  1  0.9466  0.4463  0.7767  1
  Al  Al18  1  0.0007  0.0005  0.2497  1
  Al  Al19  1  0.3314  0.3336  0.5844  1
  Al  Al20  1  0.3340  0.3339  0.0830  1
  Al  Al21  1  0.6672  0.6674  0.4164  1
  Al  Al22  1  0.6693  0.6667  0.9152  1
  Al  Al23  1  0.9998  0.0002  0.7500  1
  O  O24  1  0.0289  0.2366  0.2355  1
  O  O25  1  0.0741  0.5632  0.0709  1
  O  O26  1  0.1177  0.0454  0.8313  1
  O  O27  1  0.1644  0.3762  0.6676  1
  O  O28  1  0.1671  0.9579  0.6666  1
  O  O29  1  0.2108  0.2894  0.5034  1
  O  O30  1  0.2560  0.7670  0.2637  1
  O  O31  1  0.3063  0.1004  0.0969  1
  O  O32  1  0.3611  0.5691  0.5696  1
  O  O33  1  0.4077  0.8968  0.4045  1
  O  O34  1  0.4521  0.3746  0.1655  1
  O  O35  1  0.5006  0.2934  0.9995  1
  O  O36  1  0.5041  0.7072  0.9981  1
  O  O37  1  0.5504  0.6208  0.8344  1
  O  O38  1  0.5875  0.1008  0.5979  1
  O  O39  1  0.6395  0.4340  0.4301  1
  O  O40  1  0.6958  0.9041  0.9020  1
  O  O41  1  0.7442  0.2326  0.7382  1
  O  O42  1  0.7852  0.7080  0.4991  1
  O  O43  1  0.8341  0.6264  0.3330  1
  O  O44  1  0.8358  0.0417  0.3321  1
  O  O45  1  0.8782  0.9559  0.1692  1
  O  O46  1  0.9246  0.4339  0.9277  1
  O  O47  1  0.9725  0.7631  0.7639  1
  F  F48  1  0.0078  0.9973  0.5013  1
  F  F49  1  0.3275  0.3376  0.3312  1
  F  F50  1  0.3333  0.3336  0.8333  1
  F  F51  1  0.6664  0.6666  0.6666  1
  F  F52  1  0.6743  0.6643  0.1678  1
  F  F53  1  0.9944  0.0045  0.9978  1
]