# generated using pymatgen
data_Sc(MnAl2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18505917
_cell_length_b   6.68487754
_cell_length_c   6.68499882
_cell_angle_alpha   81.32977912
_cell_angle_beta   67.16638086
_cell_angle_gamma   67.16705090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(MnAl2)4
_chemical_formula_sum   'Sc1 Mn4 Al8'
_cell_volume   196.81995739
_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  0.00000000  0.00000000  -0.00000000  1.0
  Mn  Mn1  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn2  1  0.00000000  0.50000000  -0.00000000  1.0
  Mn  Mn3  1  0.50000000  0.50000000  -0.00000000  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al5  1  0.33763195  0.66264220  0.66269857  1.0
  Al  Al6  1  -0.00001235  0.33730061  0.66274630  1.0
  Al  Al7  1  0.00001235  0.66269939  0.33725370  1.0
  Al  Al8  1  0.66236805  0.33735780  0.33730143  1.0
  Al  Al9  1  0.27651695  0.22340295  0.22338506  1.0
  Al  Al10  1  0.50001002  0.77649919  0.22349338  1.0
  Al  Al11  1  0.49998998  0.22350081  0.77650662  1.0
  Al  Al12  1  0.72348305  0.77659705  0.77661494  1.0