# generated using pymatgen
data_TmScCrB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44612806
_cell_length_b   8.96841668
_cell_length_c   11.30426837
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmScCrB6
_chemical_formula_sum   'Tm4 Sc4 Cr4 B24'
_cell_volume   349.37324957
_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  0.00000000  0.82243904  0.08520849  1.0
  Tm  Tm1  1  0.00000000  0.17756096  0.91479151  1.0
  Tm  Tm2  1  0.00000000  0.32243904  0.41479151  1.0
  Tm  Tm3  1  0.00000000  0.67756096  0.58520849  1.0
  Sc  Sc4  1  0.00000000  0.44332041  0.13018768  1.0
  Sc  Sc5  1  0.00000000  0.55667959  0.86981232  1.0
  Sc  Sc6  1  0.00000000  0.94332041  0.36981232  1.0
  Sc  Sc7  1  0.00000000  0.05667959  0.63018768  1.0
  Cr  Cr8  1  0.00000000  0.14152117  0.18139920  1.0
  Cr  Cr9  1  0.00000000  0.85847883  0.81860080  1.0
  Cr  Cr10  1  0.00000000  0.64152117  0.31860080  1.0
  Cr  Cr11  1  0.00000000  0.35847883  0.68139920  1.0
  B  B12  1  0.50000000  0.05456416  0.06718395  1.0
  B  B13  1  0.50000000  0.94543584  0.93281605  1.0
  B  B14  1  0.50000000  0.55456416  0.43281605  1.0
  B  B15  1  0.50000000  0.44543584  0.56718395  1.0
  B  B16  1  0.50000000  0.25261857  0.08186559  1.0
  B  B17  1  0.50000000  0.74738143  0.91813441  1.0
  B  B18  1  0.50000000  0.75261857  0.41813441  1.0
  B  B19  1  0.50000000  0.24738143  0.58186559  1.0
  B  B20  1  0.50000000  0.29438139  0.23609846  1.0
  B  B21  1  0.50000000  0.70561861  0.76390154  1.0
  B  B22  1  0.50000000  0.79438139  0.26390154  1.0
  B  B23  1  0.50000000  0.20561861  0.73609846  1.0
  B  B24  1  0.50000000  0.13005367  0.31694176  1.0
  B  B25  1  0.50000000  0.86994633  0.68305824  1.0
  B  B26  1  0.50000000  0.63005367  0.18305824  1.0
  B  B27  1  0.50000000  0.36994633  0.81694176  1.0
  B  B28  1  0.50000000  0.48234460  0.28688213  1.0
  B  B29  1  0.50000000  0.51765540  0.71311787  1.0
  B  B30  1  0.50000000  0.98234460  0.21311787  1.0
  B  B31  1  0.50000000  0.01765540  0.78688213  1.0
  B  B32  1  0.50000000  0.09763031  0.47347760  1.0
  B  B33  1  0.50000000  0.90236969  0.52652240  1.0
  B  B34  1  0.50000000  0.59763031  0.02652240  1.0
  B  B35  1  0.50000000  0.40236969  0.97347760  1.0