# generated using pymatgen
data_Zr3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73823272
_cell_length_b   8.13977792
_cell_length_c   8.13977809
_cell_angle_alpha   82.84758397
_cell_angle_beta   69.33584129
_cell_angle_gamma   69.33582675
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ir
_chemical_formula_sum   'Zr12 Ir4'
_cell_volume   332.84648263
_cell_formula_units_Z   4
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  0.96056240  0.99974827  0.58940436  1.0
  Zr  Zr1  1  0.45009156  0.58962705  0.00024251  1.0
  Zr  Zr2  1  0.03943760  0.41059564  0.00025173  1.0
  Zr  Zr3  1  0.54990844  0.99975749  0.41037295  1.0
  Zr  Zr4  1  0.85420822  0.64605124  0.64610623  1.0
  Zr  Zr5  1  0.50000000  0.64608286  0.35391714  1.0
  Zr  Zr6  1  0.50000000  0.35393634  0.64606366  1.0
  Zr  Zr7  1  0.14579178  0.35389377  0.35394776  1.0
  Zr  Zr8  1  0.35748683  0.00016722  0.80781960  1.0
  Zr  Zr9  1  0.83560593  0.80806168  0.99993923  1.0
  Zr  Zr10  1  0.64251317  0.19218040  0.99983278  1.0
  Zr  Zr11  1  0.16439407  0.00006077  0.19193832  1.0
  Ir  Ir12  1  0.70761537  0.29224555  0.29224494  1.0
  Ir  Ir13  1  1.00000000  0.29216459  0.70783541  1.0
  Ir  Ir14  1  0.00000000  0.70766906  0.29233094  1.0
  Ir  Ir15  1  0.29238463  0.70775506  0.70775445  1.0