# generated using pymatgen
data_ScMn(GeRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27279765
_cell_length_b   4.27279765
_cell_length_c   6.09259779
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn(GeRu2)2
_chemical_formula_sum   'Sc1 Mn1 Ge2 Ru4'
_cell_volume   111.23133767
_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  0.50000000  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.00000000  1.0
  Ge  Ge2  1  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge3  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru4  1  0.50000000  0.00000000  0.23551532  1.0
  Ru  Ru5  1  0.00000000  0.50000000  0.23551532  1.0
  Ru  Ru6  1  0.50000000  0.00000000  0.76448368  1.0
  Ru  Ru7  1  0.00000000  0.50000000  0.76448368  1.0