# generated using pymatgen
data_Ta3Ni2(B2Mo)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20961931
_cell_length_b   4.55603492
_cell_length_c   10.89461658
_cell_angle_alpha   89.94147454
_cell_angle_beta   90.00000001
_cell_angle_gamma   110.62428286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ni2(B2Mo)3
_chemical_formula_sum   'Ta3 Ni2 B6 Mo3'
_cell_volume   149.10304179
_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
  Ta  Ta0  1  0.20891713  0.41783325  0.39344777  1.0
  Ta  Ta1  1  0.79202440  0.58404980  0.60823773  1.0
  Ta  Ta2  1  0.20980956  0.41961712  0.10298433  1.0
  Ni  Ni3  1  0.50012746  0.00025492  0.50053958  1.0
  Ni  Ni4  1  0.49922099  0.99844198  0.99867796  1.0
  B  B5  1  0.91342846  0.82685693  0.39296679  1.0
  B  B6  1  0.08759811  0.17519521  0.60738927  1.0
  B  B7  1  0.91424449  0.82848799  0.10547360  1.0
  B  B8  1  0.08582836  0.17165771  0.89440917  1.0
  B  B9  1  0.79372379  0.58744657  0.24861131  1.0
  B  B10  1  0.20698822  0.41397743  0.75227119  1.0
  Mo  Mo11  1  0.78762950  0.57525900  0.89351552  1.0
  Mo  Mo12  1  0.49989675  0.99979350  0.25007421  1.0
  Mo  Mo13  1  0.50056279  0.00112658  0.75140257  1.0