# generated using pymatgen
data_ScMnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02183501
_cell_length_b   9.74060073
_cell_length_c   7.87196632
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnSi2
_chemical_formula_sum   'Sc12 Mn12 Si24'
_cell_volume   691.77338588
_cell_formula_units_Z   12
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  0.24733000  0.82803700  0.45226900  1
  Sc  Sc1  1  0.24733000  0.17196300  0.54773100  1
  Sc  Sc2  1  0.75267000  0.32803700  0.04773100  1
  Sc  Sc3  1  0.75267000  0.67196300  0.95226900  1
  Sc  Sc4  1  0.75267000  0.17196300  0.54773100  1
  Sc  Sc5  1  0.75267000  0.82803700  0.45226900  1
  Sc  Sc6  1  0.24733000  0.67196300  0.95226900  1
  Sc  Sc7  1  0.24733000  0.32803700  0.04773100  1
  Sc  Sc8  1  0.00000000  0.83268600  0.17634700  1
  Sc  Sc9  1  0.00000000  0.16731400  0.82365300  1
  Sc  Sc10  1  0.00000000  0.33268600  0.32365300  1
  Sc  Sc11  1  0.00000000  0.66731400  0.67634700  1
  Mn  Mn12  1  0.24834200  0.58079200  0.24604700  1
  Mn  Mn13  1  0.24834200  0.41920800  0.75395300  1
  Mn  Mn14  1  0.75165800  0.08079200  0.25395300  1
  Mn  Mn15  1  0.75165800  0.91920800  0.74604700  1
  Mn  Mn16  1  0.75165800  0.41920800  0.75395300  1
  Mn  Mn17  1  0.75165800  0.58079200  0.24604700  1
  Mn  Mn18  1  0.24834200  0.91920800  0.74604700  1
  Mn  Mn19  1  0.24834200  0.08079200  0.25395300  1
  Mn  Mn20  1  0.24520200  0.50000000  0.50000000  1
  Mn  Mn21  1  0.75479800  0.00000000  0.00000000  1
  Mn  Mn22  1  0.75479800  0.50000000  0.50000000  1
  Mn  Mn23  1  0.24520200  0.00000000  0.00000000  1
  Si  Si24  1  0.34760100  0.83237200  0.18184100  1
  Si  Si25  1  0.34760100  0.16762800  0.81815900  1
  Si  Si26  1  0.65239900  0.33237200  0.31815900  1
  Si  Si27  1  0.65239900  0.66762800  0.68184100  1
  Si  Si28  1  0.65239900  0.16762800  0.81815900  1
  Si  Si29  1  0.65239900  0.83237200  0.18184100  1
  Si  Si30  1  0.34760100  0.66762800  0.68184100  1
  Si  Si31  1  0.34760100  0.33237200  0.31815900  1
  Si  Si32  1  0.50000000  0.54283700  0.12790000  1
  Si  Si33  1  0.50000000  0.45716300  0.87210000  1
  Si  Si34  1  0.50000000  0.04283700  0.37210000  1
  Si  Si35  1  0.50000000  0.95716300  0.62790000  1
  Si  Si36  1  0.00000000  0.53809900  0.12168500  1
  Si  Si37  1  0.00000000  0.46190100  0.87831500  1
  Si  Si38  1  0.00000000  0.03809900  0.37831500  1
  Si  Si39  1  0.00000000  0.96190100  0.62168500  1
  Si  Si40  1  0.50000000  0.61035000  0.39346700  1
  Si  Si41  1  0.50000000  0.38965000  0.60653300  1
  Si  Si42  1  0.50000000  0.11035000  0.10653300  1
  Si  Si43  1  0.50000000  0.88965000  0.89346700  1
  Si  Si44  1  0.00000000  0.62666300  0.39026700  1
  Si  Si45  1  0.00000000  0.37333700  0.60973300  1
  Si  Si46  1  0.00000000  0.12666300  0.10973300  1
  Si  Si47  1  0.00000000  0.87333700  0.89026700  1
