# generated using pymatgen
data_Ti3BeSi2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26250983
_cell_length_b   7.26251065
_cell_length_c   7.26250986
_cell_angle_alpha   128.16488433
_cell_angle_beta   121.09836429
_cell_angle_gamma   82.27402229
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3BeSi2Ir3
_chemical_formula_sum   'Ti6 Be2 Si4 Ir6'
_cell_volume   247.98920531
_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
  Ti  Ti0  1  0.46752241  0.44080157  0.47327916  1.0
  Ti  Ti1  1  0.53247759  0.00575676  0.97327916  1.0
  Ti  Ti2  1  0.05440599  0.00949170  0.45508571  1.0
  Ti  Ti3  1  0.94559401  0.40068072  0.95508571  1.0
  Ti  Ti4  1  0.25356364  0.59328050  0.83971787  1.0
  Ti  Ti5  1  0.74643636  0.58615423  0.33971787  1.0
  Be  Be6  1  0.27746694  0.02241973  0.24495279  1.0
  Be  Be7  1  0.72253306  0.96748584  0.74495279  1.0
  Si  Si8  1  0.16321594  0.67170582  0.50018717  1.0
  Si  Si9  1  0.83678406  0.33697123  0.50849088  1.0
  Si  Si10  1  0.67151865  0.67170582  0.00849088  1.0
  Si  Si11  1  0.32848135  0.33697123  0.00018717  1.0
  Ir  Ir12  1  1.00000000  0.24921853  0.24921853  1.0
  Ir  Ir13  1  0.50000000  0.24921853  0.74921853  1.0
  Ir  Ir14  1  0.34525623  0.75548101  0.34784412  1.0
  Ir  Ir15  1  0.65474377  0.00258889  0.41022478  1.0
  Ir  Ir16  1  0.90763688  0.75548101  0.91022478  1.0
  Ir  Ir17  1  0.09236312  0.00258889  0.84784412  1.0