# generated using pymatgen
data_TmB4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52098473
_cell_length_b   5.90901615
_cell_length_c   11.42359992
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmB4Ru
_chemical_formula_sum   'Tm4 B16 Ru4'
_cell_volume   237.67434367
_cell_formula_units_Z   4
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  0.50000000  0.12913625  0.14989434  1.0
  Tm  Tm1  1  0.50000000  0.87086375  0.85010566  1.0
  Tm  Tm2  1  0.50000000  0.62913625  0.35010566  1.0
  Tm  Tm3  1  0.50000000  0.37086375  0.64989434  1.0
  B  B4  1  -0.00000000  0.47643206  0.19227714  1.0
  B  B5  1  -0.00000000  0.52356794  0.80772286  1.0
  B  B6  1  -0.00000000  0.97643206  0.30772286  1.0
  B  B7  1  0.00000000  0.02356794  0.69227714  1.0
  B  B8  1  -0.00000000  0.29044998  0.31428322  1.0
  B  B9  1  0.00000000  0.70955002  0.68571678  1.0
  B  B10  1  -0.00000000  0.79044998  0.18571678  1.0
  B  B11  1  0.00000000  0.20955002  0.81428322  1.0
  B  B12  1  -0.00000000  0.36443753  0.47004382  1.0
  B  B13  1  0.00000000  0.63556247  0.52995618  1.0
  B  B14  1  -0.00000000  0.86443753  0.02995618  1.0
  B  B15  1  0.00000000  0.13556247  0.97004382  1.0
  B  B16  1  0.00000000  0.38739271  0.04717187  1.0
  B  B17  1  -0.00000000  0.61260729  0.95282813  1.0
  B  B18  1  0.00000000  0.88739271  0.45282813  1.0
  B  B19  1  -0.00000000  0.11260729  0.54717187  1.0
  Ru  Ru20  1  0.50000000  0.14092959  0.40703034  1.0
  Ru  Ru21  1  0.50000000  0.85907041  0.59296966  1.0
  Ru  Ru22  1  0.50000000  0.64092959  0.09296966  1.0
  Ru  Ru23  1  0.50000000  0.35907041  0.90703034  1.0