# generated using pymatgen
data_LiTb6IrBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12925148
_cell_length_b   9.16315440
_cell_length_c   9.23749929
_cell_angle_alpha   108.19054080
_cell_angle_beta   107.61655767
_cell_angle_gamma   107.55815394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTb6IrBr12
_chemical_formula_sum   'Li1 Tb6 Ir1 Br12'
_cell_volume   629.17529462
_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  0.50000000  0.50000000  1.0
  Tb  Tb1  1  0.32101322  0.11386470  0.03591194  1.0
  Tb  Tb2  1  0.03681103  0.32246623  0.11318421  1.0
  Tb  Tb3  1  0.11796296  0.03671598  0.32946822  1.0
  Tb  Tb4  1  0.67898678  0.88613530  0.96408806  1.0
  Tb  Tb5  1  0.96318897  0.67753377  0.88681579  1.0
  Tb  Tb6  1  0.88203704  0.96328402  0.67053178  1.0
  Ir  Ir7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.68407862  0.22192303  0.07292240  1.0
  Br  Br9  1  0.07290143  0.68306791  0.22096115  1.0
  Br  Br10  1  0.22226776  0.07230630  0.68454307  1.0
  Br  Br11  1  0.31592138  0.77807697  0.92707760  1.0
  Br  Br12  1  0.92709857  0.31693209  0.77903885  1.0
  Br  Br13  1  0.77773224  0.92769370  0.31545693  1.0
  Br  Br14  1  0.46612275  0.16914673  0.38433249  1.0
  Br  Br15  1  0.38685832  0.46545941  0.17009883  1.0
  Br  Br16  1  0.16784737  0.38491993  0.46317078  1.0
  Br  Br17  1  0.53387725  0.83085327  0.61566751  1.0
  Br  Br18  1  0.61314168  0.53454059  0.82990117  1.0
  Br  Br19  1  0.83215263  0.61508007  0.53682922  1.0