data_[Mg1Cu6O1F11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2529]
_cell_length_b [5.5933]
_cell_length_c [8.1922]
_cell_angle_alpha [96.1474]
_cell_angle_beta [90.6723]
_cell_angle_gamma [90.0375]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgCu6OF11]
_chemical_formula_sum '[Mg1 Cu6 O1 F11]'
_cell_volume [239.2922]
_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  0.9926  0.9851  0.4985  1.0
  Cu  Cu1  1  0.0050  0.0025  0.9953  1.0
  Cu  Cu2  1  0.0550  0.5524  0.7437  1.0
  Cu  Cu3  1  0.4768  0.8551  0.3062  1.0
  Cu  Cu4  1  0.4926  0.4939  0.9897  1.0
  Cu  Cu5  1  0.4945  0.1373  0.6976  1.0
  Cu  Cu6  1  0.9728  0.3825  0.3091  1.0
  O  O7  1  0.3707  0.4310  0.7767  1.0
  F  F8  1  0.1457  0.6851  0.3863  1.0
  F  F9  1  0.1601  0.2977  0.0950  1.0
  F  F10  1  0.1618  0.9335  0.7079  1.0
  F  F11  1  0.2931  0.8156  0.0602  1.0
  F  F12  1  0.3061  0.1355  0.4190  1.0
  F  F13  1  0.6414  0.5578  0.2127  1.0
  F  F14  1  0.6690  0.8720  0.5751  1.0
  F  F15  1  0.7270  0.1894  0.9171  1.0
  F  F16  1  0.8114  0.0502  0.2838  1.0
  F  F17  1  0.8249  0.7124  0.9101  1.0
  F  F18  1  0.8855  0.3360  0.5613  1.0
]