# generated using pymatgen
data_LiMg6Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02747700
_cell_length_b   6.46358200
_cell_length_c   11.00721200
_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   357.68496589
_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  0.83535500  1
  Li  Li1  1  0.50000000  0.00000000  0.33535500  1
  Mg  Mg2  1  0.50000000  0.25446600  0.08183400  1
  Mg  Mg3  1  0.50000000  0.74553400  0.08183400  1
  Mg  Mg4  1  0.00000000  0.24996300  0.91467600  1
  Mg  Mg5  1  0.00000000  0.75003700  0.91467600  1
  Mg  Mg6  1  0.00000000  0.50000000  0.16867600  1
  Mg  Mg7  1  0.00000000  0.50000000  0.66841700  1
  Mg  Mg8  1  0.50000000  0.75446600  0.58183400  1
  Mg  Mg9  1  0.50000000  0.24553400  0.58183400  1
  Mg  Mg10  1  0.00000000  0.74996300  0.41467600  1
  Mg  Mg11  1  0.00000000  0.25003700  0.41467600  1
  Mg  Mg12  1  0.00000000  0.00000000  0.66867600  1
  Mg  Mg13  1  0.00000000  0.00000000  0.16841700  1
  Zr  Zr14  1  0.50000000  0.50000000  0.33453700  1
  Zr  Zr15  1  0.50000000  0.00000000  0.83453700  1
