data_[Mg1Al2H4Pb2O4F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4446]
_cell_length_b [6.4395]
_cell_length_c [7.8554]
_cell_angle_alpha [80.0723]
_cell_angle_beta [88.7004]
_cell_angle_gamma [71.1296]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgAl2H4Pb2(O2F3)2]
_chemical_formula_sum '[Mg1 Al2 H4 Pb2 O4 F6]'
_cell_volume [256.5452]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.4830  0.0295  0.4059  1
  Al  Al1  1  0.1372  0.8244  0.6550  1
  Al  Al2  1  0.8941  0.1957  0.3554  1
  H  H3  1  0.0990  0.2572  0.6243  1
  H  H4  1  0.2005  0.1791  0.1179  1
  H  H5  1  0.7419  0.8248  0.8130  1
  H  H6  1  0.9647  0.7771  0.3893  1
  Pb  Pb7  1  0.1500  0.6385  0.0919  1
  Pb  Pb8  1  0.5781  0.3383  0.8667  1
  O  O9  1  0.1166  0.1366  0.5593  1
  O  O10  1  0.1924  0.1000  0.2352  1
  O  O11  1  0.8906  0.8740  0.8306  1
  O  O12  1  0.8963  0.8890  0.4639  1
  F  F13  1  0.1736  0.5285  0.6813  1
  F  F14  1  0.3869  0.7859  0.8305  1
  F  F15  1  0.4192  0.7607  0.5156  1
  F  F16  1  0.5931  0.2674  0.4786  1
  F  F17  1  0.6859  0.1506  0.1909  1
  F  F18  1  0.8345  0.4846  0.2651  1
]