# generated using pymatgen
data_LuCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22036238
_cell_length_b   5.29391098
_cell_length_c   5.29391098
_cell_angle_alpha   76.54200594
_cell_angle_beta   66.50899144
_cell_angle_gamma   66.50899144
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuCu2
_chemical_formula_sum   'Lu2 Cu4'
_cell_volume   99.10089097
_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  0.45235689  0.29764311  0.79764311  1.0
  Lu  Lu1  1  0.54764311  0.70235689  0.20235689  1.0
  Cu  Cu2  1  0.83650314  0.11101823  0.21597449  1.0
  Cu  Cu3  1  0.16349686  0.88898177  0.78402551  1.0
  Cu  Cu4  1  0.83650314  0.71597449  0.61101823  1.0
  Cu  Cu5  1  0.16349686  0.28402551  0.38898177  1.0