# generated using pymatgen
data_LuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74435116
_cell_length_b   4.15457397
_cell_length_c   5.53492346
_cell_angle_alpha   112.04319890
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuSi
_chemical_formula_sum   'Lu2 Si2'
_cell_volume   79.80830900
_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  0.14070841  0.28141582  1.0
  Lu  Lu1  1  0.75000000  0.85929159  0.71858418  1.0
  Si  Si2  1  0.25000000  0.42159599  0.84319298  1.0
  Si  Si3  1  0.75000000  0.57840401  0.15680702  1.0