# generated using pymatgen
data_TaSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78499997
_cell_length_b   6.40894140
_cell_length_c   7.28215802
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiIr
_chemical_formula_sum   'Ta4 Si4 Ir4'
_cell_volume   176.64944600
_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
  Ta  Ta0  1  0.75000000  0.52407576  0.17158469  1.0
  Ta  Ta1  1  0.25000000  0.97592424  0.67158469  1.0
  Ta  Ta2  1  0.75000000  0.02407576  0.32841531  1.0
  Ta  Ta3  1  0.25000000  0.47592424  0.82841531  1.0
  Si  Si4  1  0.25000000  0.23192676  0.12409034  1.0
  Si  Si5  1  0.25000000  0.73192676  0.37590966  1.0
  Si  Si6  1  0.75000000  0.76807324  0.87590966  1.0
  Si  Si7  1  0.75000000  0.26807324  0.62409034  1.0
  Ir  Ir8  1  0.25000000  0.85500300  0.06550430  1.0
  Ir  Ir9  1  0.25000000  0.35500300  0.43449570  1.0
  Ir  Ir10  1  0.75000000  0.64499700  0.56550430  1.0
  Ir  Ir11  1  0.75000000  0.14499700  0.93449570  1.0