# generated using pymatgen
data_Tm2B6(Ir2Rh)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56737904
_cell_length_b   5.57789899
_cell_length_c   8.58922714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.76742278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2B6(Ir2Rh)3
_chemical_formula_sum   'Tm2 B6 Ir6 Rh3'
_cell_volume   231.53636214
_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
  Tm  Tm0  1  0.00000000  0.00000000  0.70263510  1.0
  Tm  Tm1  1  0.00000000  0.00000000  0.29911306  1.0
  B  B2  1  0.66724933  0.33274468  0.00005392  1.0
  B  B3  1  0.33275067  0.66725532  0.00005392  1.0
  B  B4  1  0.66657100  0.33333576  0.66760082  1.0
  B  B5  1  0.33342900  0.66666424  0.66760082  1.0
  B  B6  1  0.33334380  0.66687541  0.33178335  1.0
  B  B7  1  0.66665620  0.33312459  0.33178335  1.0
  Ir  Ir8  1  0.50000000  0.00000000  0.83598614  1.0
  Ir  Ir9  1  0.00000000  0.50000000  0.83645112  1.0
  Ir  Ir10  1  0.50000000  0.00000000  0.16425146  1.0
  Ir  Ir11  1  0.50000000  0.50000000  0.49958505  1.0
  Ir  Ir12  1  0.50000000  0.00000000  0.49985498  1.0
  Ir  Ir13  1  0.00000000  0.50000000  0.49870871  1.0
  Rh  Rh14  1  0.50000000  0.50000000  0.83653385  1.0
  Rh  Rh15  1  0.50000000  0.50000000  0.16370383  1.0
  Rh  Rh16  1  0.00000000  0.50000000  0.16430149  1.0