# generated using pymatgen
data_Mg3Ta7B20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11971890
_cell_length_b   6.99499031
_cell_length_c   7.42148045
_cell_angle_alpha   94.66743625
_cell_angle_beta   101.86658547
_cell_angle_gamma   115.97487812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Ta7B20
_chemical_formula_sum   'Mg3 Ta7 B20'
_cell_volume   274.14117598
_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  0.99941451  0.99649993  0.99726081  1.0
  Mg  Mg1  1  0.49632996  0.99671127  0.99724488  1.0
  Mg  Mg2  1  0.00302116  0.60562313  0.80397896  1.0
  Ta  Ta3  1  0.49758446  0.79477773  0.40086967  1.0
  Ta  Ta4  1  0.99930219  0.39607513  0.20390355  1.0
  Ta  Ta5  1  0.50233343  0.20515433  0.59745903  1.0
  Ta  Ta6  1  0.00050667  0.79976830  0.40095419  1.0
  Ta  Ta7  1  0.50119412  0.60251413  0.79918662  1.0
  Ta  Ta8  1  0.49775158  0.39570257  0.20047534  1.0
  Ta  Ta9  1  0.00155144  0.20589190  0.59691692  1.0
  B  B10  1  0.33321092  0.23218865  0.86795967  1.0
  B  B11  1  0.33144275  0.63242067  0.06641670  1.0
  B  B12  1  0.16653636  0.36665149  0.93415224  1.0
  B  B13  1  0.33167279  0.03048708  0.26460097  1.0
  B  B14  1  0.16622196  0.76510524  0.13418055  1.0
  B  B15  1  0.83315597  0.23360096  0.86472504  1.0
  B  B16  1  0.16507257  0.16419114  0.33088138  1.0
  B  B17  1  0.83425147  0.63255189  0.06603582  1.0
  B  B18  1  0.33375220  0.43376703  0.46605968  1.0
  B  B19  1  0.66679091  0.36595806  0.93444411  1.0
  B  B20  1  0.83027470  0.02947388  0.26404253  1.0
  B  B21  1  0.66604846  0.76649310  0.13203384  1.0
  B  B22  1  0.33364219  0.83588780  0.66800769  1.0
  B  B23  1  0.16742161  0.56872567  0.53748625  1.0
  B  B24  1  0.66495386  0.16439836  0.33236968  1.0
  B  B25  1  0.83454448  0.43488043  0.46946067  1.0
  B  B26  1  0.16741721  0.96907956  0.73151145  1.0
  B  B27  1  0.83576424  0.83571347  0.66781981  1.0
  B  B28  1  0.67016566  0.56926869  0.53621578  1.0
  B  B29  1  0.66866917  0.97043440  0.73334619  1.0