# generated using pymatgen
data_LiZr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.02856319
_cell_length_b   11.02856319
_cell_length_c   11.02856319
_cell_angle_alpha   123.25343847
_cell_angle_beta   118.63124457
_cell_angle_gamma   88.42336580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2Ru
_chemical_formula_sum   'Li1 Zr2 Ru1'
_cell_volume   932.64766486
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1
  Zr  Zr1  1  0.00000000  0.28817300  0.28817300  1
  Zr  Zr2  1  0.00000000  0.71182700  0.71182700  1
  Ru  Ru3  1  0.00000000  0.50000000  0.50000000  1
