# generated using pymatgen
data_PaB4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00004942
_cell_length_b   7.00004052
_cell_length_c   6.99998367
_cell_angle_alpha   111.76610643
_cell_angle_beta   111.76647335
_cell_angle_gamma   104.97241655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaB4Ir
_chemical_formula_sum   'Pa4 B16 Ir4'
_cell_volume   262.83663126
_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
  Pa  Pa0  1  0.20557300  0.20557276  0.00001116  1.0
  Pa  Pa1  1  0.79442700  0.79442724  0.99998884  1.0
  Pa  Pa2  1  0.74999773  0.25001703  0.50000058  1.0
  Pa  Pa3  1  0.25000227  0.74998297  0.49999942  1.0
  B  B4  1  0.10560354  0.26211340  0.36772007  1.0
  B  B5  1  0.89439646  0.73788660  0.63227993  1.0
  B  B6  1  0.89438169  0.26211384  0.15651135  1.0
  B  B7  1  0.10561831  0.73788616  0.84348865  1.0
  B  B8  1  0.73785235  0.89439801  0.63224749  1.0
  B  B9  1  0.26214765  0.10560199  0.36775251  1.0
  B  B10  1  0.73785175  0.10561627  0.84345261  1.0
  B  B11  1  0.26214825  0.89438373  0.15654739  1.0
  B  B12  1  0.41627190  0.41627483  0.52655934  1.0
  B  B13  1  0.88971207  0.88970936  0.47342941  1.0
  B  B14  1  0.58372008  0.11029095  0.00000195  1.0
  B  B15  1  0.11028761  0.58371715  0.99999599  1.0
  B  B16  1  0.58372810  0.58372517  0.47344066  1.0
  B  B17  1  0.11028793  0.11029064  0.52657059  1.0
  B  B18  1  0.88971239  0.41628285  0.00000401  1.0
  B  B19  1  0.41627992  0.88970905  0.99999805  1.0
  Ir  Ir20  1  0.49998712  0.25985862  0.75986889  1.0
  Ir  Ir21  1  0.50001288  0.74014138  0.24013111  1.0
  Ir  Ir22  1  0.74016069  0.50001636  0.24014679  1.0
  Ir  Ir23  1  0.25983931  0.49998364  0.75985321  1.0