# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28270443
_cell_length_b   4.28270443
_cell_length_c   48.18101152
_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   'Zr15 Cu5'
_cell_volume   883.714781197
_cell_formula_units_Z   5
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  1.006042  1.006042  0.335884  1
  Zr  Zr2  1  0.506042  1.006042  0.290206  1
  Zr  Zr3  1  1.006042  0.506042  0.290206  1
  Zr  Zr4  1  1.006042  1.006042  0.426628  1
  Zr  Zr5  1  0.506042  1.006042  0.381117  1
  Zr  Zr6  1  1.006042  0.506042  0.381117  1
  Zr  Zr7  1  1.006042  1.006042  0.517596  1
  Zr  Zr8  1  0.506042  1.006042  0.472087  1
  Zr  Zr9  1  1.006042  0.506042  0.472087  1
  Zr  Zr10  1  1.006042  1.006042  0.608961  1
  Zr  Zr11  1  0.506042  0.006042  0.563106  1
  Zr  Zr12  1  1.006042  0.506042  0.563106  1
  Zr  Zr13  1  1.006042  1.006042  0.701860  1
  Zr  Zr14  1  0.506042  1.006042  0.654738  1
  Zr  Zr15  1  1.006042  0.506042  0.654738  1
  Cu  Cu16  1  0.506042  0.506042  0.335110  1
  Cu  Cu17  1  0.506042  0.506042  0.426571  1
  Cu  Cu18  1  0.506042  0.506042  0.517603  1
  Cu  Cu19  1  0.506042  0.506042  0.608587  1
  Cu  Cu20  1  0.506042  0.506042  0.694500  1
