# generated using pymatgen
data_Sc12Mn(Si4Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99939590
_cell_length_b   10.29565388
_cell_length_c   11.72755267
_cell_angle_alpha   89.99462152
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Mn(Si4Ru)3
_chemical_formula_sum   'Sc12 Mn1 Si12 Ru3'
_cell_volume   482.89834949
_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  0.25000000  0.87793529  0.02101279  1.0
  Sc  Sc1  1  0.25000000  0.62382849  0.51986298  1.0
  Sc  Sc2  1  0.75000000  0.12293892  0.98184772  1.0
  Sc  Sc3  1  0.75000000  0.37730598  0.47819116  1.0
  Sc  Sc4  1  0.25000000  0.92178597  0.60266422  1.0
  Sc  Sc5  1  0.25000000  0.57893164  0.10404330  1.0
  Sc  Sc6  1  0.75000000  0.07802728  0.39518661  1.0
  Sc  Sc7  1  0.75000000  0.42199733  0.89665819  1.0
  Sc  Sc8  1  0.25000000  0.66269653  0.79983035  1.0
  Sc  Sc9  1  0.25000000  0.83897990  0.29782336  1.0
  Sc  Sc10  1  0.75000000  0.33951754  0.20251314  1.0
  Sc  Sc11  1  0.75000000  0.15827680  0.70148537  1.0
  Mn  Mn12  1  0.25000000  0.38633395  0.67761931  1.0
  Si  Si13  1  0.25000000  0.01237379  0.82247939  1.0
  Si  Si14  1  0.25000000  0.48684813  0.32294885  1.0
  Si  Si15  1  0.75000000  0.98618367  0.17855121  1.0
  Si  Si16  1  0.75000000  0.52119599  0.67499692  1.0
  Si  Si17  1  0.25000000  0.24847562  0.84624335  1.0
  Si  Si18  1  0.25000000  0.24825292  0.34164696  1.0
  Si  Si19  1  0.75000000  0.74883498  0.15764813  1.0
  Si  Si20  1  0.75000000  0.75420332  0.65750708  1.0
  Si  Si21  1  0.25000000  0.18946922  0.54216105  1.0
  Si  Si22  1  0.25000000  0.30487011  0.04635690  1.0
  Si  Si23  1  0.75000000  0.80405602  0.45408065  1.0
  Si  Si24  1  0.75000000  0.69764726  0.95599903  1.0
  Ru  Ru25  1  0.25000000  0.10912144  0.17737616  1.0
  Ru  Ru26  1  0.75000000  0.60927229  0.32091499  1.0
  Ru  Ru27  1  0.75000000  0.89064061  0.82234982  1.0