# generated using pymatgen
data_TmSc2Ni8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81587567
_cell_length_b   4.81587567
_cell_length_c   8.56928513
_cell_angle_alpha   73.68032411
_cell_angle_beta   73.68032402
_cell_angle_gamma   60.00000740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmSc2Ni8Ir
_chemical_formula_sum   'Tm1 Sc2 Ni8 Ir1'
_cell_volume   162.80573924
_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
  Tm  Tm0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.13960500  0.13960500  0.58118399  1.0
  Sc  Sc2  1  0.86039500  0.86039500  0.41881601  1.0
  Ni  Ni3  1  0.07652654  0.58323386  0.75700475  1.0
  Ni  Ni4  1  0.58323386  0.58323386  0.75700475  1.0
  Ni  Ni5  1  0.58323386  0.07652654  0.75700475  1.0
  Ni  Ni6  1  0.92347346  0.41676614  0.24299525  1.0
  Ni  Ni7  1  0.41676614  0.41676614  0.24299525  1.0
  Ni  Ni8  1  0.41676614  0.92347346  0.24299525  1.0
  Ni  Ni9  1  0.33379666  0.33379666  0.99861101  1.0
  Ni  Ni10  1  0.66620334  0.66620334  0.00138899  1.0
  Ir  Ir11  1  0.50000000  0.50000000  0.50000000  1.0