# generated using pymatgen
data_LiFe2(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.21788600
_cell_length_b   5.29144100
_cell_length_c   5.30682663
_cell_angle_alpha   82.22134769
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(ClO)2
_chemical_formula_sum   'Li6 Fe12 Cl12 O12'
_cell_volume   673.79899268
_cell_formula_units_Z   6
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  0.02163400  0.00000000  0.75000000  1
  Li  Li1  1  0.97836600  0.00000000  0.25000000  1
  Li  Li2  1  0.64492500  0.50000000  0.75000000  1
  Li  Li3  1  0.31430800  0.50000000  0.75000000  1
  Li  Li4  1  0.68569200  0.50000000  0.25000000  1
  Li  Li5  1  0.35507500  0.50000000  0.25000000  1
  Fe  Fe6  1  0.19339300  0.00000000  0.75000000  1
  Fe  Fe7  1  0.86173100  0.00000000  0.75000000  1
  Fe  Fe8  1  0.53501500  0.00000000  0.75000000  1
  Fe  Fe9  1  0.13151000  0.50000000  0.75000000  1
  Fe  Fe10  1  0.79798500  0.50000000  0.75000000  1
  Fe  Fe11  1  0.13826900  0.00000000  0.25000000  1
  Fe  Fe12  1  0.80660700  0.00000000  0.25000000  1
  Fe  Fe13  1  0.46498500  0.00000000  0.25000000  1
  Fe  Fe14  1  0.47176900  0.50000000  0.75000000  1
  Fe  Fe15  1  0.86849000  0.50000000  0.25000000  1
  Fe  Fe16  1  0.52823100  0.50000000  0.25000000  1
  Fe  Fe17  1  0.20201500  0.50000000  0.25000000  1
  Cl  Cl18  1  0.05467500  0.25247200  0.03227100  1
  Cl  Cl19  1  0.72076500  0.23795000  0.98937600  1
  Cl  Cl20  1  0.38861400  0.24715600  0.96884700  1
  Cl  Cl21  1  0.27923500  0.76205000  0.01062400  1
  Cl  Cl22  1  0.27923500  0.23795000  0.48937600  1
  Cl  Cl23  1  0.94532500  0.74752800  0.96772900  1
  Cl  Cl24  1  0.94532500  0.25247200  0.53227100  1
  Cl  Cl25  1  0.61138600  0.24715600  0.46884700  1
  Cl  Cl26  1  0.61138600  0.75284400  0.03115300  1
  Cl  Cl27  1  0.72076500  0.76205000  0.51062400  1
  Cl  Cl28  1  0.05467500  0.74752800  0.46772900  1
  Cl  Cl29  1  0.38861400  0.75284400  0.53115300  1
  O  O30  1  0.85322400  0.23366700  0.01142000  1
  O  O31  1  0.51972800  0.26811100  0.98543600  1
  O  O32  1  0.18527600  0.23355000  0.00989700  1
  O  O33  1  0.48027200  0.73188900  0.01456400  1
  O  O34  1  0.81472400  0.23355000  0.50989700  1
  O  O35  1  0.14677600  0.76633300  0.98858000  1
  O  O36  1  0.81472400  0.76645000  0.99010300  1
  O  O37  1  0.14677600  0.23366700  0.51142000  1
  O  O38  1  0.48027200  0.26811100  0.48543600  1
  O  O39  1  0.85322400  0.76633300  0.48858000  1
  O  O40  1  0.51972800  0.73188900  0.51456400  1
  O  O41  1  0.18527600  0.76645000  0.49010300  1
