# generated using pymatgen
data_LuHf(SiMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53120517
_cell_length_b   7.06182227
_cell_length_c   8.24980453
_cell_angle_alpha   90.03799407
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuHf(SiMo)2
_chemical_formula_sum   'Lu2 Hf2 Si4 Mo4'
_cell_volume   205.72321276
_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  0.25000000  0.04297159  0.33256128  1.0
  Lu  Lu1  1  0.75000000  0.95702841  0.66743872  1.0
  Hf  Hf2  1  0.25000000  0.54235775  0.16514352  1.0
  Hf  Hf3  1  0.75000000  0.45764225  0.83485648  1.0
  Si  Si4  1  0.25000000  0.26602487  0.63908539  1.0
  Si  Si5  1  0.75000000  0.73397513  0.36091461  1.0
  Si  Si6  1  0.25000000  0.75381770  0.86670333  1.0
  Si  Si7  1  0.75000000  0.24618230  0.13329667  1.0
  Mo  Mo8  1  0.75000000  0.37360029  0.43952984  1.0
  Mo  Mo9  1  0.25000000  0.62639971  0.56047016  1.0
  Mo  Mo10  1  0.75000000  0.86809162  0.06090601  1.0
  Mo  Mo11  1  0.25000000  0.13190838  0.93909399  1.0