# generated using pymatgen
data_Zr6CuBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83408747
_cell_length_b   7.83408657
_cell_length_c   3.80799414
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6CuBi2
_chemical_formula_sum   'Zr6 Cu1 Bi2'
_cell_volume   202.39682981
_cell_formula_units_Z   1
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  0.39475256  0.39475256  0.50000000  1.0
  Zr  Zr1  1  0.60524744  -0.00000000  0.50000000  1.0
  Zr  Zr2  1  -0.00000000  0.60524844  0.50000000  1.0
  Zr  Zr3  1  0.76284901  0.76284901  0.00000000  1.0
  Zr  Zr4  1  0.23715099  0.00000000  0.00000000  1.0
  Zr  Zr5  1  0.00000000  0.23714999  -0.00000000  1.0
  Cu  Cu6  1  0.00000000  -0.00000000  0.50000000  1.0
  Bi  Bi7  1  0.66666700  0.33333300  0.00000000  1.0
  Bi  Bi8  1  0.33333300  0.66666700  0.00000000  1.0