# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12699062
_cell_length_b   3.12699062
_cell_length_c   48.19042934
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr6 Cu6'
_cell_volume   471.209406138
_cell_formula_units_Z   6
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  Zr1  1  0.502555  0.502555  0.302895  1
  Zr  Zr2  1  0.502555  0.502555  0.374058  1
  Zr  Zr3  1  0.502555  0.502555  0.445685  1
  Zr  Zr4  1  0.502555  0.502555  0.517261  1
  Zr  Zr5  1  0.502555  0.502555  0.588769  1
  Zr  Zr6  1  0.502555  0.502555  0.660402  1
  Cu  Cu7  1  1.002555  1.002555  0.338401  1
  Cu  Cu8  1  1.002555  1.002555  0.409926  1
  Cu  Cu9  1  1.002555  1.002555  0.481455  1
  Cu  Cu10  1  1.002555  1.002555  0.553013  1
  Cu  Cu11  1  1.002555  1.002555  0.624825  1
  Cu  Cu12  1  1.002555  1.002555  0.694612  1
