# generated using pymatgen
data_Sc2MnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40155636
_cell_length_b   6.40155636
_cell_length_c   6.40155636
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnSi
_chemical_formula_sum   'Sc8 Mn4 Si4'
_cell_volume   262.33529203
_cell_formula_units_Z   4
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  0.75000000  0.75000000  0.75000000  1
  Sc  Sc1  1  0.75000000  0.25000000  0.75000000  1
  Sc  Sc2  1  0.75000000  0.25000000  0.25000000  1
  Sc  Sc3  1  0.75000000  0.75000000  0.25000000  1
  Sc  Sc4  1  0.25000000  0.75000000  0.25000000  1
  Sc  Sc5  1  0.25000000  0.25000000  0.25000000  1
  Sc  Sc6  1  0.25000000  0.25000000  0.75000000  1
  Sc  Sc7  1  0.25000000  0.75000000  0.75000000  1
  Mn  Mn8  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn9  1  0.00000000  0.50000000  0.00000000  1
  Mn  Mn10  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn11  1  0.50000000  0.50000000  0.50000000  1
  Si  Si12  1  0.00000000  0.00000000  0.00000000  1
  Si  Si13  1  0.00000000  0.50000000  0.50000000  1
  Si  Si14  1  0.50000000  0.00000000  0.50000000  1
  Si  Si15  1  0.50000000  0.50000000  0.00000000  1
