# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55621156
_cell_length_b   5.55621156
_cell_length_c   8.14983516
_cell_angle_alpha   57.53020937
_cell_angle_beta   57.53020937
_cell_angle_gamma   34.14072226
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr4 Cu2'
_cell_volume   116.83335190
_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
  Zr  Zr0  1  0.07432495  0.07432495  0.15906240  1.0
  Zr  Zr1  1  0.92567505  0.92567505  0.84093760  1.0
  Zr  Zr2  1  0.65948034  0.65948034  0.43945182  1.0
  Zr  Zr3  1  0.34051966  0.34051966  0.56054818  1.0
  Cu  Cu4  1  0.36584302  0.36584302  0.15093557  1.0
  Cu  Cu5  1  0.63415698  0.63415698  0.84906443  1.0