# generated using pymatgen
data_LuPu2(SnIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43214646
_cell_length_b   7.44627934
_cell_length_c   3.93947421
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.93723520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuPu2(SnIr)3
_chemical_formula_sum   'Lu1 Pu2 Sn3 Ir3'
_cell_volume   188.92820709
_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  0.40443592  0.00000000  0.50000000  1.0
  Pu  Pu1  1  0.00213097  0.41139152  0.50000000  1.0
  Pu  Pu2  1  0.59073945  0.58860848  0.50000000  1.0
  Sn  Sn3  1  0.00632817  0.74919041  0.00000000  1.0
  Sn  Sn4  1  0.25713776  0.25080959  0.00000000  1.0
  Sn  Sn5  1  0.73524372  0.00000000  0.00000000  1.0
  Ir  Ir6  1  0.33005306  0.65701042  0.00000000  1.0
  Ir  Ir7  1  0.67304364  0.34298958  0.00000000  1.0
  Ir  Ir8  1  0.00088831  0.00000000  0.50000000  1.0