# generated using pymatgen
data_Ta2Ti4P4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28285324
_cell_length_b   7.28285421
_cell_length_c   13.76785802
_cell_angle_alpha   76.17806812
_cell_angle_beta   76.17806510
_cell_angle_gamma   27.54130945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Ti4P4Ir
_chemical_formula_sum   'Ta4 Ti8 P8 Ir2'
_cell_volume   327.28312188
_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
  Ta  Ta0  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta1  1  0.50000000  0.50000000  0.50000000  1.0
  Ta  Ta2  1  0.42478672  0.42478672  0.17426730  1.0
  Ta  Ta3  1  0.57521328  0.57521328  0.82573270  1.0
  Ti  Ti4  1  0.21302455  0.21302455  0.20979577  1.0
  Ti  Ti5  1  0.78697545  0.78697545  0.79020423  1.0
  Ti  Ti6  1  0.34049125  0.34049125  0.96622876  1.0
  Ti  Ti7  1  0.65950875  0.65950875  0.03377124  1.0
  Ti  Ti8  1  0.00422506  0.00422506  0.33548384  1.0
  Ti  Ti9  1  0.99577494  0.99577494  0.66451616  1.0
  Ti  Ti10  1  0.17549993  0.17549993  0.46606480  1.0
  Ti  Ti11  1  0.82450007  0.82450007  0.53393520  1.0
  P  P12  1  0.18349293  0.18349293  0.89845912  1.0
  P  P13  1  0.81650707  0.81650707  0.10154088  1.0
  P  P14  1  0.37233116  0.37233116  0.39533417  1.0
  P  P15  1  0.62766884  0.62766884  0.60466583  1.0
  P  P16  1  0.36365084  0.36365084  0.65861187  1.0
  P  P17  1  0.63634916  0.63634916  0.34138813  1.0
  P  P18  1  0.06310118  0.06310118  0.15502768  1.0
  P  P19  1  0.93689882  0.93689882  0.84497232  1.0
  Ir  Ir20  1  0.19337300  0.19337300  0.67538199  1.0
  Ir  Ir21  1  0.80662700  0.80662700  0.32461801  1.0