# generated using pymatgen
data_Tm4B16Ir3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53838651
_cell_length_b   5.91586560
_cell_length_c   11.48534084
_cell_angle_alpha   90.10839987
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4B16Ir3Ru
_chemical_formula_sum   'Tm4 B16 Ir3 Ru1'
_cell_volume   240.41783405
_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  0.50000000  0.13229384  0.14654901  1.0
  Tm  Tm1  1  0.50000000  0.87025771  0.85132618  1.0
  Tm  Tm2  1  0.50000000  0.63193140  0.35133078  1.0
  Tm  Tm3  1  0.50000000  0.36700943  0.65215678  1.0
  B  B4  1  0.00000000  0.47365050  0.19201284  1.0
  B  B5  1  0.00000000  0.52260021  0.80709360  1.0
  B  B6  1  0.00000000  0.97691501  0.30642941  1.0
  B  B7  1  0.00000000  0.02253132  0.69345430  1.0
  B  B8  1  0.00000000  0.29108853  0.31123678  1.0
  B  B9  1  0.00000000  0.70939665  0.68887899  1.0
  B  B10  1  0.00000000  0.79229035  0.18759401  1.0
  B  B11  1  0.00000000  0.20942400  0.81366158  1.0
  B  B12  1  0.00000000  0.36337919  0.47135948  1.0
  B  B13  1  0.00000000  0.63642496  0.52859769  1.0
  B  B14  1  0.00000000  0.86331075  0.02894124  1.0
  B  B15  1  0.00000000  0.13539823  0.96923662  1.0
  B  B16  1  0.00000000  0.38632120  0.04553470  1.0
  B  B17  1  0.00000000  0.61124943  0.95157047  1.0
  B  B18  1  0.00000000  0.88761129  0.45243252  1.0
  B  B19  1  0.00000000  0.11275743  0.54814546  1.0
  Ir  Ir20  1  0.50000000  0.14688660  0.40258211  1.0
  Ir  Ir21  1  0.50000000  0.85308760  0.59631166  1.0
  Ir  Ir22  1  0.50000000  0.64530731  0.09779146  1.0
  Ru  Ru23  1  0.50000000  0.35887805  0.90577134  1.0