# generated using pymatgen
data_ZrCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65586768
_cell_length_b   5.65586768
_cell_length_c   4.24363400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu3
_chemical_formula_sum   'Zr2 Cu6'
_cell_volume   117.56202266
_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  0.33333300  0.66666700  0.75000000  1.0
  Zr  Zr1  1  0.66666700  0.33333300  0.25000000  1.0
  Cu  Cu2  1  0.15126800  0.30253600  0.25000000  1.0
  Cu  Cu3  1  0.69746400  0.84873200  0.25000000  1.0
  Cu  Cu4  1  0.15126800  0.84873200  0.25000000  1.0
  Cu  Cu5  1  0.84873200  0.69746400  0.75000000  1.0
  Cu  Cu6  1  0.30253600  0.15126800  0.75000000  1.0
  Cu  Cu7  1  0.84873200  0.15126800  0.75000000  1.0