# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26407519
_cell_length_b   5.26407519
_cell_length_c   5.26934106
_cell_angle_alpha   82.03722480
_cell_angle_beta   82.03722480
_cell_angle_gamma   102.87720824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr4 Cu4'
_cell_volume   138.78418478
_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
  Zr  Zr0  1  0.90843644  0.90843644  0.98985520  1.0
  Zr  Zr1  1  0.41061557  0.41061557  0.02184602  1.0
  Zr  Zr2  1  0.82325079  0.26687567  0.40986087  1.0
  Zr  Zr3  1  0.26687567  0.82325079  0.40986087  1.0
  Cu  Cu4  1  0.71686171  0.71686171  0.54793125  1.0
  Cu  Cu5  1  0.30203892  0.30203892  0.56480113  1.0
  Cu  Cu6  1  0.44754888  0.94785102  0.85015532  1.0
  Cu  Cu7  1  0.94785102  0.44754888  0.85015532  1.0