# generated using pymatgen
data_Sc4Mn4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17605923
_cell_length_b   9.68084455
_cell_length_c   9.68039745
_cell_angle_alpha   85.90377405
_cell_angle_beta   74.49553953
_cell_angle_gamma   74.49632961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Mn4Si7
_chemical_formula_sum   'Sc8 Mn8 Si14'
_cell_volume   450.41164553
_cell_formula_units_Z   2
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  0.19535862  0.80465924  0.80464396  1.0
  Sc  Sc1  1  0.80462832  0.19535149  0.19536701  1.0
  Sc  Sc2  1  0.00000602  0.19536204  0.80462463  1.0
  Sc  Sc3  1  0.99999285  0.80464292  0.19537003  1.0
  Sc  Sc4  1  0.36266490  -0.00001641  0.27469986  1.0
  Sc  Sc5  1  0.63733641  0.00001148  0.72529620  1.0
  Sc  Sc6  1  0.63732177  0.72532703  0.00001367  1.0
  Sc  Sc7  1  0.36268278  0.27466340  -0.00001510  1.0
  Mn  Mn8  1  0.39874363  0.49990753  0.20252543  1.0
  Mn  Mn9  1  0.60126129  0.50008645  0.79748148  1.0
  Mn  Mn10  1  0.10127320  0.50000626  0.79757048  1.0
  Mn  Mn11  1  0.60124442  0.79750732  0.50008922  1.0
  Mn  Mn12  1  0.89872986  0.49998621  0.20242478  1.0
  Mn  Mn13  1  0.39874920  0.20250557  0.49990629  1.0
  Mn  Mn14  1  0.89873441  0.20241832  0.49998722  1.0
  Mn  Mn15  1  0.10126673  0.79757883  0.50000945  1.0
  Si  Si16  1  0.41034477  0.58941210  0.58935404  1.0
  Si  Si17  1  0.58968280  0.41060121  0.41066904  1.0
  Si  Si18  1  0.00002850  0.41057781  0.58934552  1.0
  Si  Si19  1  0.99994296  0.58942331  0.41063578  1.0
  Si  Si20  1  0.24807714  -0.00001886  -0.00002066  1.0
  Si  Si21  1  0.75191889  0.00003073  0.00002806  1.0
  Si  Si22  1  0.20616661  0.29348756  0.29350818  1.0
  Si  Si23  1  0.79382169  0.70650994  0.70649148  1.0
  Si  Si24  1  0.49999987  0.70645780  0.29355835  1.0
  Si  Si25  1  0.50002135  0.29353419  0.70643913  1.0
  Si  Si26  1  0.20598354  0.00002605  0.58811211  1.0
  Si  Si27  1  0.79400955  -0.00002087  0.41188205  1.0
  Si  Si28  1  0.79401654  0.41185827  -0.00002198  1.0
  Si  Si29  1  0.20598838  0.58812409  0.00002427  1.0