# generated using pymatgen
data_LiMg6Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97858900
_cell_length_b   6.12501800
_cell_length_c   10.63868600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg6Cu
_chemical_formula_sum   'Li2 Mg12 Cu2'
_cell_volume   324.41552958
_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  0.50000000  0.16993000  1
  Li  Li1  1  0.50000000  0.00000000  0.66993000  1
  Mg  Mg2  1  0.00000000  0.74662100  0.08565000  1
  Mg  Mg3  1  0.00000000  0.25337900  0.08565000  1
  Mg  Mg4  1  0.00000000  0.00000000  0.33280500  1
  Mg  Mg5  1  0.50000000  0.25943700  0.41245100  1
  Mg  Mg6  1  0.50000000  0.74056300  0.41245100  1
  Mg  Mg7  1  0.50000000  0.00000000  0.16652200  1
  Mg  Mg8  1  0.00000000  0.24662100  0.58565000  1
  Mg  Mg9  1  0.00000000  0.75337900  0.58565000  1
  Mg  Mg10  1  0.00000000  0.50000000  0.83280500  1
  Mg  Mg11  1  0.50000000  0.75943700  0.91245100  1
  Mg  Mg12  1  0.50000000  0.24056300  0.91245100  1
  Mg  Mg13  1  0.50000000  0.50000000  0.66652200  1
  Cu  Cu14  1  0.00000000  0.50000000  0.33454000  1
  Cu  Cu15  1  0.00000000  0.00000000  0.83454000  1
