[CIF]
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64735248
_cell_length_b   7.64735248
_cell_length_c   7.64735248
_cell_angle_alpha   143.13010235
_cell_angle_beta   143.13010235
_cell_angle_gamma   53.13010235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr6 Cu2'
_cell_volume   160.00675200
_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
  Cu  Cu0  1  2.41830519  1.20915260  5.98500000  1
  Cu  Cu1  1  0.00000000  1.20915260  0.85500000  1
  Zr  Zr2  1  0.00000000  3.62745779  2.56500000  1
  Zr  Zr3  1  0.00000000  1.20915260  4.27500000  1
  Zr  Zr4  1  2.41830519  1.20915260  -0.85500000  1
  Zr  Zr5  1  0.00000000  1.20915260  7.69500000  1
  Zr  Zr6  1  2.41830519  1.20915260  2.56500000  1
  Zr  Zr7  1  2.41830519  -1.20915260  4.27500000  1
[/CIF]
