# generated using pymatgen
data_LiMgCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29754395
_cell_length_b   6.29754395
_cell_length_c   17.43239105
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgCl3
_chemical_formula_sum   'Li6 Mg6 Cl18'
_cell_volume   598.72860281
_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  0.66666667  0.33333333  0.18704406  1
  Li  Li1  1  0.00000000  0.00000000  0.14628927  1
  Li  Li2  1  0.33333333  0.66666667  0.52037740  1
  Li  Li3  1  0.66666667  0.33333333  0.47962260  1
  Li  Li4  1  0.00000000  0.00000000  0.85371073  1
  Li  Li5  1  0.33333333  0.66666667  0.81295594  1
  Mg  Mg6  1  0.33333333  0.66666667  0.32633975  1
  Mg  Mg7  1  0.33333333  0.66666667  0.00699359  1
  Mg  Mg8  1  0.00000000  0.00000000  0.65967308  1
  Mg  Mg9  1  0.00000000  0.00000000  0.34032692  1
  Mg  Mg10  1  0.66666667  0.33333333  0.99300641  1
  Mg  Mg11  1  0.66666667  0.33333333  0.67366025  1
  Cl  Cl12  1  0.67970106  0.98961948  0.25135885  1
  Cl  Cl13  1  0.01038052  0.69008156  0.25135885  1
  Cl  Cl14  1  0.35674823  0.01303439  0.08197448  1
  Cl  Cl15  1  0.98696561  0.34371385  0.08197448  1
  Cl  Cl16  1  0.65628615  0.64325177  0.08197448  1
  Cl  Cl17  1  0.30991844  0.32029894  0.25135885  1
  Cl  Cl18  1  0.34636772  0.32295282  0.58469219  1
  Cl  Cl19  1  0.67704718  0.02341490  0.58469219  1
  Cl  Cl20  1  0.02341490  0.34636772  0.41530781  1
  Cl  Cl21  1  0.65363228  0.67704718  0.41530781  1
  Cl  Cl22  1  0.32295282  0.97658510  0.41530781  1
  Cl  Cl23  1  0.97658510  0.65363228  0.58469219  1
  Cl  Cl24  1  0.01303439  0.65628615  0.91802552  1
  Cl  Cl25  1  0.34371385  0.35674823  0.91802552  1
  Cl  Cl26  1  0.69008156  0.67970106  0.74864115  1
  Cl  Cl27  1  0.32029894  0.01038052  0.74864115  1
  Cl  Cl28  1  0.98961948  0.30991844  0.74864115  1
  Cl  Cl29  1  0.64325177  0.98696561  0.91802552  1
