# generated using pymatgen
data_LuNi2B2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86618897
_cell_length_b   5.14974318
_cell_length_c   3.07697006
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.19467172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuNi2B2Ru
_chemical_formula_sum   'Lu1 Ni2 B2 Ru1'
_cell_volume   67.95868025
_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  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.50000000  1.0
  B  B3  1  0.67389063  0.34778027  0.00000000  1.0
  B  B4  1  0.32610937  0.65221973  0.00000000  1.0
  Ru  Ru5  1  0.50000000  0.00000000  0.50000000  1.0