# generated using pymatgen
data_Lu12Fe3CuHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01582631
_cell_length_b   8.01582447
_cell_length_c   8.01582629
_cell_angle_alpha   107.22401144
_cell_angle_beta   110.00861950
_cell_angle_gamma   111.20648526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu12Fe3CuHg
_chemical_formula_sum   'Lu12 Fe3 Cu1 Hg1'
_cell_volume   395.98115664
_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
  Lu  Lu0  1  0.31008042  0.31071257  0.62079299  1.0
  Lu  Lu1  1  0.68991958  0.68928743  0.37920701  1.0
  Lu  Lu2  1  0.68991958  0.31071257  0.00063114  1.0
  Lu  Lu3  1  0.31008042  0.68928743  0.99936886  1.0
  Lu  Lu4  1  0.18552660  0.41918440  0.23365680  1.0
  Lu  Lu5  1  0.81447340  0.58081560  0.76634320  1.0
  Lu  Lu6  1  0.18552660  0.95186880  0.76634320  1.0
  Lu  Lu7  1  0.92809115  0.18578766  0.74230449  1.0
  Lu  Lu8  1  0.81447340  0.04813120  0.23365680  1.0
  Lu  Lu9  1  0.07190885  0.81421234  0.25769551  1.0
  Lu  Lu10  1  0.44348316  0.18578766  0.25769551  1.0
  Lu  Lu11  1  0.55651684  0.81421234  0.74230449  1.0
  Fe  Fe12  1  0.37455980  0.37455980  0.00000000  1.0
  Fe  Fe13  1  0.62544020  0.62544020  1.00000000  1.0
  Fe  Fe14  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu15  1  0.50000000  0.00000000  0.50000000  1.0
  Hg  Hg16  1  0.00000000  0.50000000  0.50000000  1.0