# generated using pymatgen
data_TmMgB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51849717
_cell_length_b   8.87014360
_cell_length_c   11.25581611
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmMgB6Ir
_chemical_formula_sum   'Tm4 Mg4 B24 Ir4'
_cell_volume   351.28923923
_cell_formula_units_Z   4
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  0.50000000  0.31783318  0.41429485  1.0
  Tm  Tm1  1  0.50000000  0.68216682  0.58570515  1.0
  Tm  Tm2  1  0.50000000  0.18216682  0.91429485  1.0
  Tm  Tm3  1  0.50000000  0.81783318  0.08570515  1.0
  Mg  Mg4  1  0.50000000  0.44761651  0.11861826  1.0
  Mg  Mg5  1  0.50000000  0.55238349  0.88138174  1.0
  Mg  Mg6  1  0.50000000  0.05238349  0.61861826  1.0
  Mg  Mg7  1  0.50000000  0.94761651  0.38138174  1.0
  B  B8  1  0.00000000  0.10125755  0.47242838  1.0
  B  B9  1  0.00000000  0.89874245  0.52757162  1.0
  B  B10  1  0.00000000  0.39874245  0.97242838  1.0
  B  B11  1  0.00000000  0.60125755  0.02757162  1.0
  B  B12  1  0.00000000  0.12804073  0.31914737  1.0
  B  B13  1  0.00000000  0.87195927  0.68085263  1.0
  B  B14  1  0.00000000  0.37195927  0.81914737  1.0
  B  B15  1  0.00000000  0.62804073  0.18085263  1.0
  B  B16  1  0.00000000  0.05519163  0.06662792  1.0
  B  B17  1  0.00000000  0.94480837  0.93337208  1.0
  B  B18  1  0.00000000  0.44480837  0.56662792  1.0
  B  B19  1  0.00000000  0.55519163  0.43337208  1.0
  B  B20  1  0.00000000  0.48068737  0.28480592  1.0
  B  B21  1  0.00000000  0.51931263  0.71519408  1.0
  B  B22  1  0.00000000  0.01931263  0.78480592  1.0
  B  B23  1  0.00000000  0.98068737  0.21519408  1.0
  B  B24  1  0.00000000  0.25483841  0.07927751  1.0
  B  B25  1  0.00000000  0.74516159  0.92072249  1.0
  B  B26  1  0.00000000  0.24516159  0.57927751  1.0
  B  B27  1  0.00000000  0.75483841  0.42072249  1.0
  B  B28  1  0.00000000  0.29352329  0.23500886  1.0
  B  B29  1  0.00000000  0.70647671  0.76499114  1.0
  B  B30  1  0.00000000  0.20647671  0.73500886  1.0
  B  B31  1  0.00000000  0.79352329  0.26499114  1.0
  Ir  Ir32  1  0.50000000  0.13963151  0.18105260  1.0
  Ir  Ir33  1  0.50000000  0.86036849  0.81894740  1.0
  Ir  Ir34  1  0.50000000  0.36036849  0.68105260  1.0
  Ir  Ir35  1  0.50000000  0.63963151  0.31894740  1.0