# generated using pymatgen
data_Tm3Sc5(MnB6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39111316
_cell_length_b   8.89556576
_cell_length_c   11.24004520
_cell_angle_alpha   89.98384073
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Sc5(MnB6)4
_chemical_formula_sum   'Tm3 Sc5 Mn4 B24'
_cell_volume   339.06573049
_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  0.81996672  0.08756839  1.0
  Tm  Tm1  1  0.00000000  0.17901792  0.91508339  1.0
  Tm  Tm2  1  0.00000000  0.32422365  0.41455189  1.0
  Sc  Sc3  1  0.00000000  0.67888668  0.58154228  1.0
  Sc  Sc4  1  0.00000000  0.44516005  0.13100473  1.0
  Sc  Sc5  1  0.00000000  0.55655924  0.87017890  1.0
  Sc  Sc6  1  0.00000000  0.94094664  0.37122353  1.0
  Sc  Sc7  1  0.00000000  0.05550081  0.62830112  1.0
  Mn  Mn8  1  0.00000000  0.14048987  0.18204011  1.0
  Mn  Mn9  1  0.00000000  0.85853112  0.81705656  1.0
  Mn  Mn10  1  0.00000000  0.64083753  0.31992268  1.0
  Mn  Mn11  1  0.00000000  0.36086933  0.68092414  1.0
  B  B12  1  0.50000000  0.05418643  0.06775402  1.0
  B  B13  1  0.50000000  0.94519285  0.93205206  1.0
  B  B14  1  0.50000000  0.55555377  0.43335333  1.0
  B  B15  1  0.50000000  0.44774258  0.56700420  1.0
  B  B16  1  0.50000000  0.25181104  0.08205254  1.0
  B  B17  1  0.50000000  0.74805162  0.91769738  1.0
  B  B18  1  0.50000000  0.74974805  0.41932295  1.0
  B  B19  1  0.50000000  0.24875873  0.58147351  1.0
  B  B20  1  0.50000000  0.29390133  0.23582596  1.0
  B  B21  1  0.50000000  0.70573552  0.76245509  1.0
  B  B22  1  0.50000000  0.79212397  0.26627739  1.0
  B  B23  1  0.50000000  0.20646620  0.73506729  1.0
  B  B24  1  0.50000000  0.12974615  0.31663747  1.0
  B  B25  1  0.50000000  0.86842807  0.68179652  1.0
  B  B26  1  0.50000000  0.63013685  0.18558372  1.0
  B  B27  1  0.50000000  0.37050209  0.81621464  1.0
  B  B28  1  0.50000000  0.48410760  0.28803456  1.0
  B  B29  1  0.50000000  0.51956418  0.71174124  1.0
  B  B30  1  0.50000000  0.98147393  0.21370271  1.0
  B  B31  1  0.50000000  0.01765253  0.78611303  1.0
  B  B32  1  0.50000000  0.09914507  0.47298398  1.0
  B  B33  1  0.50000000  0.89842627  0.52720879  1.0
  B  B34  1  0.50000000  0.59927813  0.02697741  1.0
  B  B35  1  0.50000000  0.40128247  0.97327352  1.0