# generated using pymatgen
data_Li2Ta2(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67194075
_cell_length_b   5.67194075
_cell_length_c   21.27847600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ta2(OF2)3
_chemical_formula_sum   'Li6 Ta6 O9 F18'
_cell_volume   592.83588583
_cell_formula_units_Z   3
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
  Li  Li0  1  0.44700300  0.45286800  0.14199300  1
  Li  Li1  1  0.99413600  0.54713200  0.52467300  1
  Li  Li2  1  0.45286800  0.44700300  0.85800700  1
  Li  Li3  1  0.54713200  0.99413600  0.47532700  1
  Li  Li4  1  0.55299700  0.00586400  0.19134000  1
  Li  Li5  1  0.00586400  0.55299700  0.80866000  1
  Ta  Ta6  1  0.78006400  0.11205000  0.04558800  1
  Ta  Ta7  1  0.66801400  0.88795000  0.62107900  1
  Ta  Ta8  1  0.21993600  0.33198600  0.28774600  1
  Ta  Ta9  1  0.88795000  0.66801400  0.37892100  1
  Ta  Ta10  1  0.33198600  0.21993600  0.71225400  1
  Ta  Ta11  1  0.11205000  0.78006400  0.95441200  1
  O  O12  1  0.09795200  0.00000000  0.33333300  1
  O  O13  1  0.90204800  0.90204800  0.00000000  1
  O  O14  1  0.50628400  0.58074700  0.67512900  1
  O  O15  1  0.58074700  0.50628400  0.32487100  1
  O  O16  1  0.41925300  0.92553700  0.00846300  1
  O  O17  1  0.00000000  0.09795200  0.66666700  1
  O  O18  1  0.92553700  0.41925300  0.99153700  1
  O  O19  1  0.07446300  0.49371600  0.34179600  1
  O  O20  1  0.49371600  0.07446300  0.65820400  1
  F  F21  1  0.36304100  0.70614800  0.55799400  1
  F  F22  1  0.15852400  0.87926100  0.76179300  1
  F  F23  1  0.27926400  0.12073900  0.90487400  1
  F  F24  1  0.83248200  0.63499600  0.88321500  1
  F  F25  1  0.65689300  0.29385200  0.10867300  1
  F  F26  1  0.63499600  0.83248200  0.11678500  1
  F  F27  1  0.19748600  0.36500400  0.78345200  1
  F  F28  1  0.16751800  0.80251400  0.45011800  1
  F  F29  1  0.63695900  0.34310700  0.77533900  1
  F  F30  1  0.72073600  0.84147600  0.42846000  1
  F  F31  1  0.36500400  0.19748600  0.21654800  1
  F  F32  1  0.12073900  0.27926400  0.09512600  1
  F  F33  1  0.87926100  0.15852400  0.23820700  1
  F  F34  1  0.34310700  0.63695900  0.22466100  1
  F  F35  1  0.29385200  0.65689300  0.89132700  1
  F  F36  1  0.70614800  0.36304100  0.44200600  1
  F  F37  1  0.80251400  0.16751800  0.54988200  1
  F  F38  1  0.84147600  0.72073600  0.57154000  1
