# generated using pymatgen
data_TiMn(BRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99211057
_cell_length_b   8.69344092
_cell_length_c   8.69338654
_cell_angle_alpha   120.00020568
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn(BRu)2
_chemical_formula_sum   'Ti3 Mn3 B6 Ru6'
_cell_volume   195.83398758
_cell_formula_units_Z   3
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
  Ti  Ti0  1  0.00000000  0.58246155  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.41758971  0.41761402  1.0
  Ti  Ti2  1  0.00000000  0.99997670  0.58238598  1.0
  Mn  Mn3  1  0.00000000  0.82205856  0.82211464  1.0
  Mn  Mn4  1  0.00000000  0.99994392  0.17788536  1.0
  Mn  Mn5  1  0.00000000  0.17786816  0.00000000  1.0
  B  B6  1  0.50000000  0.99997082  0.00000000  1.0
  B  B7  1  0.50000000  0.79514796  1.00000000  1.0
  B  B8  1  0.50000000  0.20482071  0.20485060  1.0
  B  B9  1  0.50000000  0.99997111  0.79514940  1.0
  B  B10  1  0.00000000  0.33332828  0.66665741  1.0
  B  B11  1  0.00000000  0.66667087  0.33334259  1.0
  Ru  Ru12  1  0.50000000  0.53986124  0.72631626  1.0
  Ru  Ru13  1  0.50000000  0.18642892  0.46015357  1.0
  Ru  Ru14  1  0.50000000  0.27374968  0.81352021  1.0
  Ru  Ru15  1  0.50000000  0.81354499  0.27368374  1.0
  Ru  Ru16  1  0.50000000  0.72627535  0.53984643  1.0
  Ru  Ru17  1  0.50000000  0.46023047  0.18647979  1.0