# generated using pymatgen
data_Sc4MnAl18Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28179800
_cell_length_b   7.28179819
_cell_length_c   9.03186839
_cell_angle_alpha   90.13083921
_cell_angle_beta   90.13083652
_cell_angle_gamma   119.75096780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4MnAl18Ni5
_chemical_formula_sum   'Sc4 Mn1 Al18 Ni5'
_cell_volume   415.78169622
_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  0.99241126  0.66895775  0.24762785  1.0
  Sc  Sc1  1  0.00453461  0.32822667  0.75174575  1.0
  Sc  Sc2  1  0.67177333  0.99546539  0.24825425  1.0
  Sc  Sc3  1  0.33104225  0.00758874  0.75237215  1.0
  Mn  Mn4  1  0.67266690  0.32733310  0.00000000  1.0
  Al  Al5  1  0.99423064  0.33381061  0.07299578  1.0
  Al  Al6  1  0.00273494  0.66064913  0.92662931  1.0
  Al  Al7  1  0.00518325  0.66788045  0.57510435  1.0
  Al  Al8  1  0.33211955  0.99481675  0.42489565  1.0
  Al  Al9  1  0.99492088  0.33572665  0.42566738  1.0
  Al  Al10  1  0.66427335  0.00507912  0.57433262  1.0
  Al  Al11  1  0.66618939  0.00576936  0.92700422  1.0
  Al  Al12  1  0.33935087  0.99726506  0.07337069  1.0
  Al  Al13  1  0.33935353  0.55785412  0.24961125  1.0
  Al  Al14  1  0.66015479  0.44305823  0.75259582  1.0
  Al  Al15  1  0.55694177  0.33984521  0.24740418  1.0
  Al  Al16  1  0.44214588  0.66064647  0.75038875  1.0
  Al  Al17  1  0.32891827  0.33103157  0.55229299  1.0
  Al  Al18  1  0.66896843  0.67108173  0.44770701  1.0
  Al  Al19  1  0.67150549  0.66568935  0.04797524  1.0
  Al  Al20  1  0.33431065  0.32849451  0.95202476  1.0
  Al  Al21  1  0.11958727  0.12048290  0.24974234  1.0
  Al  Al22  1  0.87951710  0.88041273  0.75025766  1.0
  Ni  Ni23  1  0.32938024  0.67061976  0.00000000  1.0
  Ni  Ni24  1  0.32732804  0.67267196  0.50000000  1.0
  Ni  Ni25  1  0.67071528  0.32928472  0.50000000  1.0
  Ni  Ni26  1  0.00142766  0.99857234  1.00000000  1.0
  Ni  Ni27  1  0.99831139  0.00168861  0.50000000  1.0