# generated using pymatgen
data_Li28MgScSi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19954106
_cell_length_b   9.19954023
_cell_length_c   9.19954016
_cell_angle_alpha   109.48973608
_cell_angle_beta   109.48973359
_cell_angle_gamma   109.43419571
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li28MgScSi8
_chemical_formula_sum   'Li28 Mg1 Sc1 Si8'
_cell_volume   599.34431860
_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
  Li  Li0  1  0.07035273  0.53981697  0.27876925  1.0
  Li  Li1  1  0.26104873  0.79158348  0.72123075  1.0
  Li  Li2  1  0.18211058  0.96027331  0.97444328  1.0
  Li  Li3  1  0.98583003  0.20766630  0.02555672  1.0
  Li  Li4  1  0.03972669  0.01416997  0.22183627  1.0
  Li  Li5  1  0.79233370  0.81788942  0.77816373  1.0
  Li  Li6  1  0.46018303  0.73895127  0.53053575  1.0
  Li  Li7  1  0.20841652  0.92964727  0.46946425  1.0
  Li  Li8  1  0.72490267  0.34125285  0.06023834  1.0
  Li  Li9  1  0.96630605  0.40504895  0.87139799  1.0
  Li  Li10  1  0.28101451  0.66466333  0.93976166  1.0
  Li  Li11  1  0.53365096  0.09490806  0.12860201  1.0
  Li  Li12  1  0.69499684  0.86603455  0.09142250  1.0
  Li  Li13  1  0.48466342  0.89163464  0.33254313  1.0
  Li  Li14  1  0.55909151  0.15212029  0.66745687  1.0
  Li  Li15  1  0.77461205  0.60357334  0.90857750  1.0
  Li  Li16  1  0.84787971  0.51533658  0.40697322  1.0
  Li  Li17  1  0.39642666  0.30500316  0.17103770  1.0
  Li  Li18  1  0.13396545  0.22538795  0.82896230  1.0
  Li  Li19  1  0.10836536  0.44090849  0.59302678  1.0
  Li  Li20  1  0.90509194  0.03369395  0.43874290  1.0
  Li  Li21  1  0.33533667  0.27509733  0.61635118  1.0
  Li  Li22  1  0.59495105  0.46634904  0.56125710  1.0
  Li  Li23  1  0.65874715  0.71898549  0.38364882  1.0
  Li  Li24  1  0.00085214  0.87343023  0.62673505  1.0
  Li  Li25  1  0.24669417  0.37411808  0.37326495  1.0
  Li  Li26  1  0.12656977  0.75330583  0.12742291  1.0
  Li  Li27  1  0.62588192  0.99914786  0.87257709  1.0
  Mg  Mg28  1  0.75000000  0.25000000  0.50000000  1.0
  Sc  Sc29  1  0.50000000  0.50000000  0.00000000  1.0
  Si  Si30  1  0.29540447  0.53639171  0.15972654  1.0
  Si  Si31  1  0.37666417  0.13567893  0.84027346  1.0
  Si  Si32  1  0.95928805  0.62338695  0.74429949  1.0
  Si  Si33  1  0.87908746  0.21498956  0.25570051  1.0
  Si  Si34  1  0.37661305  0.12091254  0.33590211  1.0
  Si  Si35  1  0.78501044  0.04071195  0.66409789  1.0
  Si  Si36  1  0.46360829  0.62333583  0.75901376  1.0
  Si  Si37  1  0.86432107  0.70459553  0.24098624  1.0