# generated using pymatgen
data_LiMg6Sc(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.03478500
_cell_length_b   7.82860300
_cell_length_c   7.94350261
_cell_angle_alpha   86.27301436
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg6Sc(SiO3)8
_chemical_formula_sum   'Li2 Mg12 Sc2 Si16 O48'
_cell_volume   870.92873596
_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
  Li  Li0  1  0.41013000  0.42962500  0.09995100  1
  Li  Li1  1  0.58987000  0.92962500  0.09995100  1
  Mg  Mg2  1  0.74530500  0.29133000  0.52770900  1
  Mg  Mg3  1  0.17169100  0.05577900  0.75737000  1
  Mg  Mg4  1  0.25469500  0.79133000  0.52770900  1
  Mg  Mg5  1  0.82830900  0.55577900  0.75737000  1
  Mg  Mg6  1  0.36234400  0.19233900  0.72275500  1
  Mg  Mg7  1  0.97398400  0.18272500  0.69183800  1
  Mg  Mg8  1  0.63765600  0.69233900  0.72275500  1
  Mg  Mg9  1  0.02601600  0.68272500  0.69183800  1
  Mg  Mg10  1  0.85011100  0.09422400  0.29110500  1
  Mg  Mg11  1  0.05092000  0.33575200  0.07563200  1
  Mg  Mg12  1  0.94908000  0.83575200  0.07563200  1
  Mg  Mg13  1  0.14988900  0.59422400  0.29110500  1
  Sc  Sc14  1  0.74587100  0.68806800  0.37558900  1
  Sc  Sc15  1  0.25412900  0.18806800  0.37558900  1
  Si  Si16  1  0.83702400  0.46765400  0.09507300  1
  Si  Si17  1  0.23853400  0.64460900  0.93053200  1
  Si  Si18  1  0.76146600  0.14460900  0.93053200  1
  Si  Si19  1  0.16297600  0.96765400  0.09507300  1
  Si  Si20  1  0.52288500  0.44142900  0.56666300  1
  Si  Si21  1  0.93990800  0.45295100  0.41264800  1
  Si  Si22  1  0.47711500  0.94142900  0.56666300  1
  Si  Si23  1  0.06009200  0.95295100  0.41264800  1
  Si  Si24  1  0.82246400  0.90811300  0.68844100  1
  Si  Si25  1  0.59794800  0.58503400  0.13993000  1
  Si  Si26  1  0.40205200  0.08503400  0.13993000  1
  Si  Si27  1  0.17753600  0.40811300  0.68844100  1
  Si  Si28  1  0.59866500  0.13234800  0.37636100  1
  Si  Si29  1  0.40133500  0.63234800  0.37636100  1
  Si  Si30  1  0.55378900  0.26190600  0.93860800  1
  Si  Si31  1  0.44621100  0.76190600  0.93860800  1
  O  O32  1  0.56671300  0.39092200  0.08353800  1
  O  O33  1  0.06598900  0.40212300  0.75519000  1
  O  O34  1  0.93401100  0.90212300  0.75519000  1
  O  O35  1  0.43328700  0.89092200  0.08353800  1
  O  O36  1  0.09500700  0.79820500  0.14336400  1
  O  O37  1  0.55902400  0.68956300  0.94789400  1
  O  O38  1  0.44097600  0.18956300  0.94789400  1
  O  O39  1  0.90499300  0.29820500  0.14336400  1
  O  O40  1  0.47705600  0.58674100  0.23113300  1
  O  O41  1  0.90220700  0.60484600  0.97149500  1
  O  O42  1  0.52294400  0.08674100  0.23113300  1
  O  O43  1  0.09779300  0.10484600  0.97149500  1
  O  O44  1  0.28918500  0.65271200  0.32809400  1
  O  O45  1  0.92980400  0.56458800  0.58053900  1
  O  O46  1  0.07019600  0.06458800  0.58053900  1
  O  O47  1  0.71081500  0.15271200  0.32809400  1
  O  O48  1  0.62872700  0.75204300  0.24430100  1
  O  O49  1  0.21724200  0.60844300  0.72572600  1
  O  O50  1  0.78275800  0.10844300  0.72572600  1
  O  O51  1  0.37127300  0.25204300  0.24430100  1
  O  O52  1  0.19597700  0.38973400  0.48850100  1
  O  O53  1  0.73011500  0.52918700  0.58107900  1
  O  O54  1  0.26988500  0.02918700  0.58107900  1
  O  O55  1  0.80402300  0.88973400  0.48850100  1
  O  O56  1  0.96108000  0.94206000  0.31089700  1
  O  O57  1  0.45046600  0.14099200  0.55662900  1
  O  O58  1  0.54953400  0.64099200  0.55662900  1
  O  O59  1  0.03892000  0.44206000  0.31089700  1
  O  O60  1  0.40884900  0.83017900  0.44610900  1
  O  O61  1  0.64107800  0.11993300  0.94610200  1
  O  O62  1  0.35892200  0.61993300  0.94610200  1
  O  O63  1  0.59115100  0.33017900  0.44610900  1
  O  O64  1  0.55196400  0.36947300  0.75827200  1
  O  O65  1  0.10802000  0.76715600  0.48778400  1
  O  O66  1  0.44803600  0.86947300  0.75827200  1
  O  O67  1  0.89198000  0.26715600  0.48778400  1
  O  O68  1  0.75623600  0.77471500  0.79823600  1
  O  O69  1  0.13537100  0.06479700  0.28506800  1
  O  O70  1  0.24376400  0.27471500  0.79823600  1
  O  O71  1  0.86462900  0.56479700  0.28506800  1
  O  O72  1  0.59347400  0.96654700  0.52693300  1
  O  O73  1  0.40652600  0.46654700  0.52693300  1
  O  O74  1  0.81823900  0.00766100  0.05308300  1
  O  O75  1  0.18176100  0.50766100  0.05308300  1
  O  O76  1  0.78502200  0.35252200  0.91732300  1
  O  O77  1  0.27874500  0.03097100  0.14250600  1
  O  O78  1  0.21497800  0.85252200  0.91732300  1
  O  O79  1  0.72125500  0.53097100  0.14250600  1
