# generated using pymatgen
data_LiZr4(TaB4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21200777
_cell_length_b   7.08448338
_cell_length_c   7.49094155
_cell_angle_alpha   94.34394313
_cell_angle_beta   101.99299902
_cell_angle_gamma   115.97577653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr4(TaB4)5
_chemical_formula_sum   'Li1 Zr4 Ta5 B20'
_cell_volume   284.63570260
_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  0.00025278  0.00073471  0.00177454  1.0
  Zr  Zr1  1  0.50084552  0.79999656  0.39963986  1.0
  Zr  Zr2  1  0.00075982  0.39976070  0.19787301  1.0
  Zr  Zr3  1  0.49898790  0.19747127  0.60174171  1.0
  Zr  Zr4  1  0.99787700  0.79863012  0.39976213  1.0
  Ta  Ta5  1  0.49975258  0.00156664  0.99834117  1.0
  Ta  Ta6  1  0.50172475  0.59983686  0.80069584  1.0
  Ta  Ta7  1  0.49868478  0.40050725  0.19881872  1.0
  Ta  Ta8  1  0.00155659  0.20149574  0.60229800  1.0
  Ta  Ta9  1  0.99911382  0.60081098  0.80074365  1.0
  B  B10  1  0.32995141  0.23077489  0.87156783  1.0
  B  B11  1  0.33385370  0.63445148  0.06202747  1.0
  B  B12  1  0.16596764  0.36275610  0.93419777  1.0
  B  B13  1  0.33165164  0.03613791  0.25872089  1.0
  B  B14  1  0.16557869  0.77195334  0.12393799  1.0
  B  B15  1  0.83662184  0.23019237  0.86953381  1.0
  B  B16  1  0.16551069  0.16709289  0.32669326  1.0
  B  B17  1  0.83289037  0.63895876  0.05801098  1.0
  B  B18  1  0.33267355  0.43073424  0.46848553  1.0
  B  B19  1  0.66592897  0.36840795  0.93264518  1.0
  B  B20  1  0.83474404  0.03483462  0.26026367  1.0
  B  B21  1  0.66796906  0.77052366  0.12457645  1.0
  B  B22  1  0.33394980  0.83184185  0.67207964  1.0
  B  B23  1  0.16677841  0.56459186  0.53759395  1.0
  B  B24  1  0.66559955  0.16635428  0.33143208  1.0
  B  B25  1  0.83291500  0.43120761  0.46834524  1.0
  B  B26  1  0.16466024  0.96528183  0.74237533  1.0
  B  B27  1  0.83512476  0.83212944  0.67703286  1.0
  B  B28  1  0.66712722  0.56604055  0.53753559  1.0
  B  B29  1  0.67094893  0.96492455  0.74125585  1.0