# generated using pymatgen
data_KLiAl2Si4(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33338464
_cell_length_b   5.33338464
_cell_length_c   10.39186760
_cell_angle_alpha   84.56023007
_cell_angle_beta   84.56023007
_cell_angle_gamma   119.96058166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiAl2Si4(O5F)2
_chemical_formula_sum   'K1 Li1 Al2 Si4 O10 F2'
_cell_volume   251.45620893
_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
  K  K0  1  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Al  Al2  1  0.83024100  0.16975900  0.50000000  1
  Al  Al3  1  0.16975900  0.83024100  0.50000000  1
  Si  Si4  1  0.58741000  0.25042500  0.23126700  1
  Si  Si5  1  0.41259000  0.74957500  0.76873300  1
  Si  Si6  1  0.74957500  0.41259000  0.76873300  1
  Si  Si7  1  0.25042500  0.58741000  0.23126700  1
  O  O8  1  0.42967700  0.94158600  0.16834900  1
  O  O9  1  0.57032300  0.05841400  0.83165100  1
  O  O10  1  0.05841400  0.57032300  0.83165100  1
  O  O11  1  0.94158600  0.42967700  0.16834900  1
  O  O12  1  0.53743200  0.17463100  0.39626300  1
  O  O13  1  0.46256800  0.82536900  0.60373700  1
  O  O14  1  0.82536900  0.46256800  0.60373700  1
  O  O15  1  0.17463100  0.53743200  0.39626300  1
  O  O16  1  0.45455200  0.45455200  0.17483500  1
  O  O17  1  0.54544800  0.54544800  0.82516500  1
  F  F18  1  0.88626200  0.88626200  0.40841100  1
  F  F19  1  0.11373800  0.11373800  0.59158900  1
