# generated using pymatgen
data_Zr2BIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71591809
_cell_length_b   5.71591809
_cell_length_c   5.71591737
_cell_angle_alpha   60.00000417
_cell_angle_beta   60.00000417
_cell_angle_gamma   59.99999165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BIr6
_chemical_formula_sum   'Zr2 B1 Ir6'
_cell_volume   132.05137772
_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  0.75000000  0.75000000  0.75000000  1.0
  Zr  Zr1  1  0.25000000  0.25000000  0.25000000  1.0
  B  B2  1  0.00000000  -0.00000000  -0.00000000  1.0
  Ir  Ir3  1  0.74188375  0.74188375  0.25811625  1.0
  Ir  Ir4  1  0.25811625  0.74188375  0.25811625  1.0
  Ir  Ir5  1  0.74188375  0.25811625  0.25811625  1.0
  Ir  Ir6  1  0.25811625  0.25811625  0.74188375  1.0
  Ir  Ir7  1  0.74188375  0.25811625  0.74188375  1.0
  Ir  Ir8  1  0.25811625  0.74188375  0.74188375  1.0