# generated using pymatgen
data_Zr5Bi3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69124654
_cell_length_b   8.69124710
_cell_length_c   5.85777816
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000541
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Bi3B
_chemical_formula_sum   'Zr10 Bi6 B2'
_cell_volume   383.20193713
_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  0.66666700  0.33333300  0.50000000  1.0
  Zr  Zr1  1  0.33333300  0.66666700  0.50000000  1.0
  Zr  Zr2  1  0.33333300  0.66666700  0.00000000  1.0
  Zr  Zr3  1  0.66666700  0.33333300  0.00000000  1.0
  Zr  Zr4  1  0.77265292  0.77265292  0.25000000  1.0
  Zr  Zr5  1  0.22734708  0.00000000  0.25000000  1.0
  Zr  Zr6  1  0.00000000  0.22734708  0.25000000  1.0
  Zr  Zr7  1  0.22734708  0.22734708  0.75000000  1.0
  Zr  Zr8  1  0.77265292  1.00000000  0.75000000  1.0
  Zr  Zr9  1  1.00000000  0.77265292  0.75000000  1.0
  Bi  Bi10  1  0.39872073  0.39872073  0.25000000  1.0
  Bi  Bi11  1  0.60127927  1.00000000  0.25000000  1.0
  Bi  Bi12  1  1.00000000  0.60127927  0.25000000  1.0
  Bi  Bi13  1  0.60127927  0.60127927  0.75000000  1.0
  Bi  Bi14  1  0.39872073  0.00000000  0.75000000  1.0
  Bi  Bi15  1  0.00000000  0.39872073  0.75000000  1.0
  B  B16  1  0.00000000  0.00000000  0.50000000  1.0
  B  B17  1  0.00000000  0.00000000  0.00000000  1.0