# generated using pymatgen
data_LiZr3(B4Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98862037
_cell_length_b   8.56029609
_cell_length_c   9.96558887
_cell_angle_alpha   88.15818813
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr3(B4Ru5)2
_chemical_formula_sum   'Li1 Zr3 B8 Ru10'
_cell_volume   254.82267976
_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  0.50000000  0.85291366  0.19785370  1.0
  Zr  Zr1  1  0.50000000  0.15500400  0.82795139  1.0
  Zr  Zr2  1  0.50000000  0.66156568  0.67569506  1.0
  Zr  Zr3  1  0.50000000  0.34568460  0.31051229  1.0
  B  B4  1  0.50000000  0.96768246  0.59019742  1.0
  B  B5  1  0.50000000  0.03406288  0.41559478  1.0
  B  B6  1  0.50000000  0.84716218  0.90671731  1.0
  B  B7  1  0.50000000  0.13313037  0.10585012  1.0
  B  B8  1  0.50000000  0.65778308  0.38531867  1.0
  B  B9  1  0.50000000  0.35564057  0.59616643  1.0
  B  B10  1  0.50000000  0.46057360  0.91035992  1.0
  B  B11  1  0.50000000  0.53741329  0.08394781  1.0
  Ru  Ru12  1  0.00000000  0.65381329  0.94163191  1.0
  Ru  Ru13  1  0.00000000  0.33122186  0.04858065  1.0
  Ru  Ru14  1  0.00000000  0.83470374  0.45579438  1.0
  Ru  Ru15  1  0.00000000  0.16954927  0.55207496  1.0
  Ru  Ru16  1  0.00000000  0.98738495  0.00783437  1.0
  Ru  Ru17  1  0.00000000  0.40438199  0.75837265  1.0
  Ru  Ru18  1  0.00000000  0.60662949  0.22813041  1.0
  Ru  Ru19  1  0.00000000  0.50416313  0.49321921  1.0
  Ru  Ru20  1  0.00000000  0.90632234  0.74119366  1.0
  Ru  Ru21  1  0.00000000  0.09321257  0.26700291  1.0