# generated using pymatgen
data_Li3CrClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81284100
_cell_length_b   6.81284100
_cell_length_c   4.86266200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CrClO4
_chemical_formula_sum   'Li6 Cr2 Cl2 O8'
_cell_volume   225.69949631
_cell_formula_units_Z   2
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  0.50000000  0.00000000  0.14431600  1
  Li  Li1  1  0.75000000  0.25000000  0.50000000  1
  Li  Li2  1  0.25000000  0.25000000  0.50000000  1
  Li  Li3  1  0.00000000  0.50000000  0.85568400  1
  Li  Li4  1  0.25000000  0.75000000  0.50000000  1
  Li  Li5  1  0.75000000  0.75000000  0.50000000  1
  Cr  Cr6  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr7  1  0.50000000  0.50000000  0.00000000  1
  Cl  Cl8  1  0.50000000  0.00000000  0.66535000  1
  Cl  Cl9  1  0.00000000  0.50000000  0.33465000  1
  O  O10  1  0.19556100  0.00000000  0.20656200  1
  O  O11  1  0.80443900  0.00000000  0.20656200  1
  O  O12  1  0.00000000  0.19556100  0.79343800  1
  O  O13  1  0.50000000  0.30443900  0.20656200  1
  O  O14  1  0.30443900  0.50000000  0.79343800  1
  O  O15  1  0.69556100  0.50000000  0.79343800  1
  O  O16  1  0.50000000  0.69556100  0.20656200  1
  O  O17  1  0.00000000  0.80443900  0.79343800  1
