# generated using pymatgen
data_LiCoSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50462427
_cell_length_b   7.33762426
_cell_length_c   10.35307200
_cell_angle_alpha   76.55020351
_cell_angle_beta   78.89641656
_cell_angle_gamma   107.69157677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoSO4F
_chemical_formula_sum   'Li4 Co4 S4 O16 F4'
_cell_volume   371.49747850
_cell_formula_units_Z   4
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  0.49326400  0.65343300  0.13294700  1
  Li  Li1  1  0.99308600  0.15428200  0.63286800  1
  Li  Li2  1  0.00691300  0.84571500  0.36713300  1
  Li  Li3  1  0.50673500  0.34656700  0.86705200  1
  Co  Co4  1  0.50000000  0.00000100  0.50000000  1
  Co  Co5  1  0.00000000  0.00000000  0.00000000  1
  Co  Co6  1  0.00000000  0.50000000  0.00000000  1
  Co  Co7  1  0.50000000  0.50000000  0.50000000  1
  S  S8  1  0.47251300  0.08304900  0.16316700  1
  S  S9  1  0.97406500  0.58331600  0.66297300  1
  S  S10  1  0.02593600  0.41668400  0.33702700  1
  S  S11  1  0.52748700  0.91695100  0.83683300  1
  O  O12  1  0.44905300  0.10400500  0.30321800  1
  O  O13  1  0.95054000  0.60453800  0.80301500  1
  O  O14  1  0.04946100  0.39546300  0.19698500  1
  O  O15  1  0.55094700  0.89599600  0.69678200  1
  O  O16  1  0.60030100  0.28473300  0.05465500  1
  O  O17  1  0.10208200  0.78470000  0.55404400  1
  O  O18  1  0.89791800  0.21530000  0.44595600  1
  O  O19  1  0.39969900  0.71526700  0.94534500  1
  O  O20  1  0.19296600  0.98333600  0.15934800  1
  O  O21  1  0.69450900  0.48396300  0.65926500  1
  O  O22  1  0.30549200  0.51603700  0.34073500  1
  O  O23  1  0.80703400  0.01666400  0.84065200  1
  O  O24  1  0.62688200  0.95272700  0.13774500  1
  O  O25  1  0.12789900  0.45257000  0.63794300  1
  O  O26  1  0.87210100  0.54743100  0.36205700  1
  O  O27  1  0.37311800  0.04727300  0.86225500  1
  F  F28  1  0.85015000  0.69582500  0.05856200  1
  F  F29  1  0.35019100  0.19620400  0.55844000  1
  F  F30  1  0.64980900  0.80379500  0.44156100  1
  F  F31  1  0.14985000  0.30417500  0.94143700  1
