# generated using pymatgen
data_Sc4MnAl6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32565612
_cell_length_b   5.32565802
_cell_length_c   8.47446104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4MnAl6Ir
_chemical_formula_sum   'Sc4 Mn1 Al6 Ir1'
_cell_volume   208.15605911
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.05774933  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.55899784  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.44100216  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.94225067  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al5  1  0.83336721  0.66673441  0.24730524  1.0
  Al  Al6  1  0.16663279  0.83336721  0.75269476  1.0
  Al  Al7  1  0.66673441  0.83336721  0.75269476  1.0
  Al  Al8  1  0.33326559  0.16663279  0.24730524  1.0
  Al  Al9  1  0.83336721  0.16663279  0.24730524  1.0
  Al  Al10  1  0.16663279  0.33326559  0.75269476  1.0
  Ir  Ir11  1  0.00000000  0.00000000  0.00000000  1.0