# generated using pymatgen
data_LiMg6Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07579600
_cell_length_b   6.35694400
_cell_length_c   11.10080100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg6Zr
_chemical_formula_sum   'Li2 Mg12 Zr2'
_cell_volume   358.18456080
_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  0.16727300  1
  Li  Li1  1  0.50000000  0.00000000  0.66727300  1
  Mg  Mg2  1  0.00000000  0.74543100  0.08246100  1
  Mg  Mg3  1  0.00000000  0.25456900  0.08246100  1
  Mg  Mg4  1  0.00000000  0.00000000  0.33554900  1
  Mg  Mg5  1  0.50000000  0.25400800  0.41557000  1
  Mg  Mg6  1  0.50000000  0.74599200  0.41557000  1
  Mg  Mg7  1  0.50000000  0.00000000  0.16683500  1
  Mg  Mg8  1  0.00000000  0.24543100  0.58246100  1
  Mg  Mg9  1  0.00000000  0.75456900  0.58246100  1
  Mg  Mg10  1  0.00000000  0.50000000  0.83554900  1
  Mg  Mg11  1  0.50000000  0.75400800  0.91557000  1
  Mg  Mg12  1  0.50000000  0.24599200  0.91557000  1
  Mg  Mg13  1  0.50000000  0.50000000  0.66683500  1
  Zr  Zr14  1  0.00000000  0.50000000  0.33428100  1
  Zr  Zr15  1  0.00000000  0.00000000  0.83428100  1
