# generated using pymatgen
data_Ti8Mn(Al2Ir)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58639537
_cell_length_b   8.58638525
_cell_length_c   8.58640663
_cell_angle_alpha   120.10393106
_cell_angle_beta   119.85408861
_cell_angle_gamma   90.03663753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8Mn(Al2Ir)7
_chemical_formula_sum   'Ti8 Mn1 Al14 Ir7'
_cell_volume   447.76718284
_cell_formula_units_Z   1
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  0.80476414  0.30056476  0.09585088  1.0
  Ti  Ti1  1  0.20471670  0.30056532  0.49580237  1.0
  Ti  Ti2  1  0.19299806  0.69299806  0.50000331  1.0
  Ti  Ti3  1  0.20471950  0.70892149  0.90416290  1.0
  Ti  Ti4  1  0.80476098  0.70891972  0.50420389  1.0
  Ti  Ti5  1  0.78963991  0.28964088  0.50000157  1.0
  Ti  Ti6  1  0.37874829  0.12236669  0.74361287  1.0
  Ti  Ti7  1  0.37875303  0.63513668  0.25638580  1.0
  Mn  Mn8  1  0.99439910  0.49440985  0.50002875  1.0
  Al  Al9  1  0.15787377  0.33929793  0.18142171  1.0
  Al  Al10  1  0.15787381  0.97644670  0.81857147  1.0
  Al  Al11  1  0.14962147  0.34696877  0.80265448  1.0
  Al  Al12  1  0.54431144  0.34696230  0.19733884  1.0
  Al  Al13  1  0.84493395  0.65251569  0.80757924  1.0
  Al  Al14  1  0.84493368  0.03734858  0.19240997  1.0
  Al  Al15  1  0.83971863  0.65728732  0.18242506  1.0
  Al  Al16  1  0.47486024  0.65728860  0.81756800  1.0
  Al  Al17  1  0.38011509  0.12042802  0.25968567  1.0
  Al  Al18  1  0.86074270  0.12042588  0.74031095  1.0
  Al  Al19  1  0.62087690  0.87865032  0.25777427  1.0
  Al  Al20  1  0.62087452  0.36310025  0.74222205  1.0
  Al  Al21  1  0.62210551  0.87823768  0.74386134  1.0
  Al  Al22  1  0.13437593  0.87824131  0.25613437  1.0
  Ir  Ir23  1  0.00176479  0.99915789  0.50185106  1.0
  Ir  Ir24  1  0.49730400  0.99915604  0.99739326  1.0
  Ir  Ir25  1  0.49723058  0.49723421  0.99999740  1.0
  Ir  Ir26  1  0.49731047  0.49991924  0.49815199  1.0
  Ir  Ir27  1  0.00176946  0.49991911  0.00260480  1.0
  Ir  Ir28  1  0.99994929  0.99993842  0.99999634  1.0
  Ir  Ir29  1  0.49795009  0.99794729  0.49999541  1.0