# generated using pymatgen
data_LiBe8CrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28353548
_cell_length_b   4.28353637
_cell_length_c   7.04140076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe8CrIr2
_chemical_formula_sum   'Li1 Be8 Cr1 Ir2'
_cell_volume   111.89082694
_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  0.33333300  0.66666700  0.06706536  1.0
  Be  Be1  1  0.16834344  0.33668588  0.75161573  1.0
  Be  Be2  1  0.16834344  0.83165656  0.75161573  1.0
  Be  Be3  1  0.34111345  0.17055672  0.24737482  1.0
  Be  Be4  1  0.82944328  0.65888655  0.24737482  1.0
  Be  Be5  1  0.00000000  0.00000000  0.99698461  1.0
  Be  Be6  1  0.66331412  0.83165656  0.75161573  1.0
  Be  Be7  1  0.82944328  0.17055672  0.24737482  1.0
  Be  Be8  1  0.00000000  0.00000000  0.49516898  1.0
  Cr  Cr9  1  0.66666700  0.33333300  0.56278383  1.0
  Ir  Ir10  1  0.33333300  0.66666700  0.44554050  1.0
  Ir  Ir11  1  0.66666700  0.33333300  0.93548508  1.0