# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28854592
_cell_length_b   6.12157931
_cell_length_c   48.99142742
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr21 Cu7'
_cell_volume   1286.15597159
_cell_formula_units_Z   7
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  0.504182  0.624516  0.296048  1
  Zr  Zr2  1  0.004182  0.873624  0.325982  1
  Zr  Zr3  1  0.004182  0.375407  0.325982  1
  Zr  Zr4  1  0.504182  0.124516  0.358252  1
  Zr  Zr5  1  0.004182  0.374388  0.389583  1
  Zr  Zr6  1  0.004182  0.874643  0.389583  1
  Zr  Zr7  1  0.504182  0.624516  0.421169  1
  Zr  Zr8  1  0.004182  0.874721  0.452306  1
  Zr  Zr9  1  0.004182  0.374310  0.452306  1
  Zr  Zr10  1  0.504182  0.124516  0.483614  1
  Zr  Zr11  1  0.004182  0.374465  0.514953  1
  Zr  Zr12  1  0.004182  0.874566  0.514953  1
  Zr  Zr13  1  0.504182  0.624516  0.546190  1
  Zr  Zr14  1  0.004182  0.874553  0.577648  1
  Zr  Zr15  1  0.004182  0.374478  0.577648  1
  Zr  Zr16  1  0.504182  0.124516  0.608798  1
  Zr  Zr17  1  0.004182  0.374170  0.640569  1
  Zr  Zr18  1  0.004182  0.874861  0.640569  1
  Zr  Zr19  1  0.504182  0.624516  0.671152  1
  Zr  Zr20  1  0.004182  0.884192  0.702463  1
  Zr  Zr21  1  0.004182  0.364839  0.702463  1
  Cu  Cu22  1  0.504182  0.124516  0.300666  1
  Cu  Cu23  1  0.504182  0.624516  0.358066  1
  Cu  Cu24  1  0.504182  0.124516  0.421019  1
  Cu  Cu25  1  0.504182  0.624516  0.483636  1
  Cu  Cu26  1  0.504182  0.124516  0.546233  1
  Cu  Cu27  1  0.504182  0.624516  0.608692  1
  Cu  Cu28  1  0.504182  0.124516  0.670522  1
