# generated using pymatgen
data_LuSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23815707
_cell_length_b   6.83838415
_cell_length_c   7.03464997
_cell_angle_alpha   89.99775878
_cell_angle_beta   89.99996415
_cell_angle_gamma   89.99996752
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuSiRu
_chemical_formula_sum   'Lu4 Si4 Ru4'
_cell_volume   203.87925334
_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
  Lu  Lu0  1  0.74999893  0.01034691  0.81129680  1.0
  Lu  Lu1  1  0.24999991  0.48966970  0.31132400  1.0
  Lu  Lu2  1  0.75000014  0.51034807  0.68868160  1.0
  Lu  Lu3  1  0.25000103  0.98966472  0.18869725  1.0
  Si  Si4  1  0.74999858  0.19922930  0.39280834  1.0
  Si  Si5  1  0.25000014  0.30078011  0.89280033  1.0
  Si  Si6  1  0.75000045  0.69922741  0.10720974  1.0
  Si  Si7  1  0.25000009  0.80077589  0.60718126  1.0
  Ru  Ru8  1  0.24998939  0.15508787  0.56431424  1.0
  Ru  Ru9  1  0.75000619  0.34475444  0.06444146  1.0
  Ru  Ru10  1  0.25000284  0.65522878  0.93567656  1.0
  Ru  Ru11  1  0.75000232  0.84488578  0.43556842  1.0