# generated using pymatgen
data_Mg3Sc(Ta3B10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12942773
_cell_length_b   7.00215830
_cell_length_c   7.44503835
_cell_angle_alpha   94.61806188
_cell_angle_beta   101.89841402
_cell_angle_gamma   115.90469577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Sc(Ta3B10)2
_chemical_formula_sum   'Mg3 Sc1 Ta6 B20'
_cell_volume   275.92090817
_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
  Mg  Mg0  1  0.49751991  0.99707229  0.99668373  1.0
  Mg  Mg1  1  0.99980222  0.20303443  0.60484036  1.0
  Mg  Mg2  1  0.00406201  0.60304581  0.80140100  1.0
  Sc  Sc3  1  0.99823403  0.99769380  0.00051144  1.0
  Ta  Ta4  1  0.50013888  0.79821800  0.40221095  1.0
  Ta  Ta5  1  0.99889743  0.39932887  0.20258499  1.0
  Ta  Ta6  1  0.50042635  0.20547183  0.59538658  1.0
  Ta  Ta7  1  0.00045890  0.80174378  0.39795869  1.0
  Ta  Ta8  1  0.50145630  0.60105870  0.79664896  1.0
  Ta  Ta9  1  0.49921285  0.39452801  0.20147958  1.0
  B  B10  1  0.33499762  0.23499714  0.86648111  1.0
  B  B11  1  0.33234622  0.63138204  0.06688881  1.0
  B  B12  1  0.16671174  0.36775097  0.93246405  1.0
  B  B13  1  0.33455449  0.03294470  0.26501745  1.0
  B  B14  1  0.16682411  0.76378930  0.13313420  1.0
  B  B15  1  0.83353954  0.23490645  0.86648690  1.0
  B  B16  1  0.16500291  0.16586269  0.33625622  1.0
  B  B17  1  0.83282374  0.63097733  0.06503597  1.0
  B  B18  1  0.33143134  0.43288381  0.46803513  1.0
  B  B19  1  0.66621495  0.36548382  0.93468597  1.0
  B  B20  1  0.83035168  0.03019114  0.26722232  1.0
  B  B21  1  0.66409680  0.76533303  0.13224515  1.0
  B  B22  1  0.33330847  0.83540859  0.66789498  1.0
  B  B23  1  0.16643517  0.56698061  0.53579577  1.0
  B  B24  1  0.66729264  0.16516881  0.33600908  1.0
  B  B25  1  0.83637928  0.43406673  0.46961258  1.0
  B  B26  1  0.16840054  0.96825433  0.72861213  1.0
  B  B27  1  0.83368178  0.83524354  0.66338055  1.0
  B  B28  1  0.66985347  0.56893128  0.53392093  1.0
  B  B29  1  0.66554464  0.96824717  0.73111343  1.0