# generated using pymatgen
data_Cu3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25848560
_cell_length_b   5.25848560
_cell_length_c   4.21198800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999497
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Ru
_chemical_formula_sum   'Cu6 Ru2'
_cell_volume   100.86468973
_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  0.16440000  0.32880000  0.25000000  1.0
  Cu  Cu1  1  0.67120000  0.83560000  0.25000000  1.0
  Cu  Cu2  1  0.16440000  0.83560000  0.25000000  1.0
  Cu  Cu3  1  0.83560000  0.67120000  0.75000000  1.0
  Cu  Cu4  1  0.32880000  0.16440000  0.75000000  1.0
  Cu  Cu5  1  0.83560000  0.16440000  0.75000000  1.0
  Ru  Ru6  1  0.33333300  0.66666700  0.75000000  1.0
  Ru  Ru7  1  0.66666700  0.33333300  0.25000000  1.0