# generated using pymatgen
data_ScMnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65185327
_cell_length_b   6.65183442
_cell_length_c   3.87022449
_cell_angle_alpha   89.99999557
_cell_angle_beta   90.00000578
_cell_angle_gamma   120.00016072
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnSi
_chemical_formula_sum   'Sc3 Mn3 Si3'
_cell_volume   148.30308197
_cell_formula_units_Z   3
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  0.41575025  0.41575779  0.49999983  1.0
  Sc  Sc1  1  0.58425775  -0.00000005  0.49999981  1.0
  Sc  Sc2  1  -0.00000770  0.58423189  0.50000004  1.0
  Mn  Mn3  1  0.00000095  0.24089101  -0.00000017  1.0
  Mn  Mn4  1  0.24088200  0.00000390  -0.00000008  1.0
  Mn  Mn5  1  0.75911507  0.75911761  0.99999997  1.0
  Si  Si6  1  -0.00000426  0.00000024  0.49999994  1.0
  Si  Si7  1  0.66667170  0.33333594  -0.00000010  1.0
  Si  Si8  1  0.33333324  0.66666067  -0.00000024  1.0