# generated using pymatgen
data_Mg4Sc3(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97921700
_cell_length_b   5.44018500
_cell_length_c   9.45088371
_cell_angle_alpha   89.84924417
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Sc3(SiO3)8
_chemical_formula_sum   'Mg4 Sc3 Si8 O24'
_cell_volume   461.66085561
_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
  Mg  Mg0  1  0.27112400  0.50000000  0.00000000  1.0
  Mg  Mg1  1  0.76367100  0.50000000  0.50000000  1.0
  Mg  Mg2  1  0.39729900  0.50000000  0.50000000  1.0
  Mg  Mg3  1  0.23564300  0.00000000  0.50000000  1.0
  Sc  Sc4  1  0.88307200  0.50000000  0.00000000  1.0
  Sc  Sc5  1  0.08823200  0.00000000  0.00000000  1.0
  Sc  Sc6  1  0.59492800  0.00000000  0.50000000  1.0
  Si  Si7  1  0.41105200  0.17697100  0.79430000  1.0
  Si  Si8  1  0.58920300  0.67773700  0.79194900  1.0
  Si  Si9  1  0.91349800  0.17938700  0.70518800  1.0
  Si  Si10  1  0.09091900  0.67489700  0.70284800  1.0
  Si  Si11  1  0.91349800  0.82061300  0.29481200  1.0
  Si  Si12  1  0.09091900  0.32510300  0.29715200  1.0
  Si  Si13  1  0.58920300  0.32226300  0.20805100  1.0
  Si  Si14  1  0.41105200  0.82302900  0.20570000  1.0
  O  O15  1  0.92014700  0.17857100  0.87583400  1.0
  O  O16  1  0.09951800  0.66142100  0.87633700  1.0
  O  O17  1  0.75248200  0.65544400  0.85540200  1.0
  O  O18  1  0.25415500  0.18565400  0.87956100  1.0
  O  O19  1  0.50694900  0.93466000  0.84217600  1.0
  O  O20  1  0.47866000  0.44846000  0.84923700  1.0
  O  O21  1  0.98305100  0.44794100  0.64485500  1.0
  O  O22  1  0.01876400  0.94579100  0.64921500  1.0
  O  O23  1  0.75728800  0.18330100  0.61858700  1.0
  O  O24  1  0.24631900  0.68558900  0.61740600  1.0
  O  O25  1  0.59077800  0.66031600  0.61622700  1.0
  O  O26  1  0.40218100  0.17629800  0.61937700  1.0
  O  O27  1  0.59077800  0.33968400  0.38377300  1.0
  O  O28  1  0.40218100  0.82370200  0.38062300  1.0
  O  O29  1  0.75728800  0.81669900  0.38141300  1.0
  O  O30  1  0.24631900  0.31441100  0.38259400  1.0
  O  O31  1  0.98305100  0.55205900  0.35514500  1.0
  O  O32  1  0.01876400  0.05420900  0.35078500  1.0
  O  O33  1  0.50694900  0.06534000  0.15782400  1.0
  O  O34  1  0.47866000  0.55154000  0.15076300  1.0
  O  O35  1  0.75248200  0.34455600  0.14459800  1.0
  O  O36  1  0.25415500  0.81434600  0.12043900  1.0
  O  O37  1  0.92014700  0.82142900  0.12416600  1.0
  O  O38  1  0.09951800  0.33857900  0.12366300  1.0