# generated using pymatgen
data_Tm3B6(Ir3Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93008524
_cell_length_b   9.13837128
_cell_length_c   5.51910463
_cell_angle_alpha   81.23915501
_cell_angle_beta   65.44104146
_cell_angle_gamma   32.96190187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3B6(Ir3Ru)2
_chemical_formula_sum   'Tm3 B6 Ir6 Ru2'
_cell_volume   227.48248647
_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
  Tm  Tm0  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm1  1  0.82375300  0.82375300  0.17624700  1.0
  Tm  Tm2  1  0.17624700  0.17624700  0.82375300  1.0
  B  B3  1  0.66686080  0.33313920  0.68083665  1.0
  B  B4  1  0.33313920  0.66686080  0.31916335  1.0
  B  B5  1  0.17901197  0.47537266  0.51338256  1.0
  B  B6  1  0.47537266  0.17901197  0.83223180  1.0
  B  B7  1  0.82098803  0.52462734  0.48661744  1.0
  B  B8  1  0.52462734  0.82098803  0.16776820  1.0
  Ir  Ir9  1  0.91383098  0.91383098  0.58616902  1.0
  Ir  Ir10  1  0.41528620  0.41528620  0.58471380  1.0
  Ir  Ir11  1  0.58471380  0.58471380  0.41528620  1.0
  Ir  Ir12  1  0.24927631  0.24927631  0.25072369  1.0
  Ir  Ir13  1  0.75072369  0.75072369  0.74927631  1.0
  Ir  Ir14  1  0.08616902  0.08616902  0.41383098  1.0
  Ru  Ru15  1  0.58631352  0.58631352  0.91368648  1.0
  Ru  Ru16  1  0.41368648  0.41368648  0.08631352  1.0