# generated using pymatgen
data_YMgB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54445638
_cell_length_b   8.91141566
_cell_length_c   11.31429576
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgB6Ir
_chemical_formula_sum   'Y4 Mg4 B24 Ir4'
_cell_volume   357.37474980
_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
  Y  Y0  1  0.50000000  0.31846448  0.41430371  1.0
  Y  Y1  1  0.50000000  0.68153552  0.58569629  1.0
  Y  Y2  1  0.50000000  0.18153552  0.91430371  1.0
  Y  Y3  1  0.50000000  0.81846448  0.08569629  1.0
  Mg  Mg4  1  0.50000000  0.44757065  0.11886008  1.0
  Mg  Mg5  1  0.50000000  0.55242935  0.88113992  1.0
  Mg  Mg6  1  0.50000000  0.05242935  0.61886008  1.0
  Mg  Mg7  1  0.50000000  0.94757065  0.38113992  1.0
  B  B8  1  0.00000000  0.10019515  0.47284346  1.0
  B  B9  1  0.00000000  0.89980485  0.52715654  1.0
  B  B10  1  0.00000000  0.39980485  0.97284346  1.0
  B  B11  1  0.00000000  0.60019515  0.02715654  1.0
  B  B12  1  0.00000000  0.12765358  0.31893983  1.0
  B  B13  1  0.00000000  0.87234642  0.68106017  1.0
  B  B14  1  0.00000000  0.37234642  0.81893983  1.0
  B  B15  1  0.00000000  0.62765358  0.18106017  1.0
  B  B16  1  0.00000000  0.05587503  0.06755024  1.0
  B  B17  1  0.00000000  0.94412497  0.93244976  1.0
  B  B18  1  0.00000000  0.44412497  0.56755024  1.0
  B  B19  1  0.00000000  0.55587503  0.43244976  1.0
  B  B20  1  0.00000000  0.48152800  0.28445284  1.0
  B  B21  1  0.00000000  0.51847200  0.71554716  1.0
  B  B22  1  0.00000000  0.01847200  0.78445284  1.0
  B  B23  1  0.00000000  0.98152800  0.21554716  1.0
  B  B24  1  0.00000000  0.25526654  0.08029244  1.0
  B  B25  1  0.00000000  0.74473346  0.91970756  1.0
  B  B26  1  0.00000000  0.24473346  0.58029244  1.0
  B  B27  1  0.00000000  0.75526654  0.41970756  1.0
  B  B28  1  0.00000000  0.29349746  0.23472401  1.0
  B  B29  1  0.00000000  0.70650254  0.76527599  1.0
  B  B30  1  0.00000000  0.20650254  0.73472401  1.0
  B  B31  1  0.00000000  0.79349746  0.26527599  1.0
  Ir  Ir32  1  0.50000000  0.14016541  0.18161918  1.0
  Ir  Ir33  1  0.50000000  0.85983459  0.81838082  1.0
  Ir  Ir34  1  0.50000000  0.35983459  0.68161918  1.0
  Ir  Ir35  1  0.50000000  0.64016541  0.31838082  1.0