[CIF]
data_Zr4BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47684084
_cell_length_b   5.47684084
_cell_length_c   5.47684084
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4BIr
_chemical_formula_sum   'Zr4 B1 Ir1'
_cell_volume   116.16501795
_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
  B  B0  1  0.00000000  0.00000000  0.00000000  1
  Ir  Ir1  1  1.93635565  1.93635565  1.93635565  1
  Zr  Zr2  1  2.90839903  2.90839903  4.83702357  1
  Zr  Zr3  1  2.90839903  4.83702357  2.90839903  1
  Zr  Zr4  1  4.83702357  2.90839903  2.90839903  1
  Zr  Zr5  1  4.83702357  4.83702357  4.83702357  1
[/CIF]
