# generated using pymatgen
data_Ta3B6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77650606
_cell_length_b   9.77650800
_cell_length_c   3.11111173
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   160.78378698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3B6Mo
_chemical_formula_sum   'Ta3 B6 Mo1'
_cell_volume   97.87135722
_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  0.06965731  0.93034069  0.25000100  1.0
  Ta  Ta1  1  0.92976185  0.07023615  0.75000100  1.0
  Ta  Ta2  1  0.20411891  0.79587909  0.75000100  1.0
  B  B3  1  0.66723751  0.33275949  0.25000100  1.0
  B  B4  1  0.47641982  0.52357718  0.25000100  1.0
  B  B5  1  0.38311218  0.61688582  0.25000100  1.0
  B  B6  1  0.61659636  0.38340164  0.75000100  1.0
  B  B7  1  0.52235095  0.47764605  0.75000100  1.0
  B  B8  1  0.33298155  0.66701545  0.75000100  1.0
  Mo  Mo9  1  0.79775156  0.20224644  0.25000100  1.0