# generated using pymatgen
data_Lu4B12MoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58886552
_cell_length_b   9.06034246
_cell_length_c   11.45096506
_cell_angle_alpha   89.67758627
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4B12MoIr
_chemical_formula_sum   'Lu8 B24 Mo2 Ir2'
_cell_volume   372.33770013
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.00000000  0.32499530  0.41784454  1.0
  Lu  Lu1  1  0.00000000  0.67500470  0.58215546  1.0
  Lu  Lu2  1  0.00000000  0.81484840  0.08945413  1.0
  Lu  Lu3  1  0.00000000  0.18515160  0.91054587  1.0
  Lu  Lu4  1  0.00000000  0.94242241  0.37416985  1.0
  Lu  Lu5  1  0.00000000  0.05757759  0.62583015  1.0
  Lu  Lu6  1  0.00000000  0.44557345  0.12720457  1.0
  Lu  Lu7  1  0.00000000  0.55442655  0.87279543  1.0
  B  B8  1  0.50000000  0.55142712  0.43419991  1.0
  B  B9  1  0.50000000  0.44857288  0.56580009  1.0
  B  B10  1  0.50000000  0.05405072  0.06519455  1.0
  B  B11  1  0.50000000  0.94594928  0.93480545  1.0
  B  B12  1  0.50000000  0.75016809  0.42132871  1.0
  B  B13  1  0.50000000  0.24983191  0.57867129  1.0
  B  B14  1  0.50000000  0.25033236  0.07850200  1.0
  B  B15  1  0.50000000  0.74966764  0.92149800  1.0
  B  B16  1  0.50000000  0.79588226  0.26321180  1.0
  B  B17  1  0.50000000  0.20411774  0.73678820  1.0
  B  B18  1  0.50000000  0.29111734  0.23428175  1.0
  B  B19  1  0.50000000  0.70888266  0.76571825  1.0
  B  B20  1  0.50000000  0.63163198  0.18200998  1.0
  B  B21  1  0.50000000  0.36836802  0.81799002  1.0
  B  B22  1  0.50000000  0.13061825  0.31588762  1.0
  B  B23  1  0.50000000  0.86938175  0.68411238  1.0
  B  B24  1  0.50000000  0.98149463  0.21205462  1.0
  B  B25  1  0.50000000  0.01850537  0.78794538  1.0
  B  B26  1  0.50000000  0.47768722  0.28620459  1.0
  B  B27  1  0.50000000  0.52231278  0.71379541  1.0
  B  B28  1  0.50000000  0.60606095  0.02787823  1.0
  B  B29  1  0.50000000  0.39393905  0.97212177  1.0
  B  B30  1  0.50000000  0.10488807  0.46989838  1.0
  B  B31  1  0.50000000  0.89511193  0.53010162  1.0
  Mo  Mo32  1  0.00000000  0.63903716  0.31867885  1.0
  Mo  Mo33  1  0.00000000  0.36096284  0.68132115  1.0
  Ir  Ir34  1  0.00000000  0.13701710  0.17752104  1.0
  Ir  Ir35  1  0.00000000  0.86298290  0.82247896  1.0