[CIF]
data_Mg3Sc5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94247292
_cell_length_b   8.94247292
_cell_length_c   5.60090210
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Sc5
_chemical_formula_sum   'Mg6 Sc10'
_cell_volume   387.88580003
_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
  Mg  Mg0  1  -1.81203860  3.13854291  4.20067658  1
  Mg  Mg1  1  -2.65919787  4.60586581  1.40022552  1
  Mg  Mg2  1  2.65919787  4.60586581  4.20067658  1
  Mg  Mg3  1  3.62407719  0.00000000  4.20067658  1
  Mg  Mg4  1  5.31839573  0.00000000  1.40022552  1
  Mg  Mg5  1  1.81203860  3.13854291  1.40022552  1
  Sc  Sc6  1  4.47123646  2.58146957  2.80045105  1
  Sc  Sc7  1  -0.00000000  5.16293915  0.00000000  1
  Sc  Sc8  1  0.00000000  5.16293915  2.80045105  1
  Sc  Sc9  1  4.47123646  2.58146957  0.00000000  1
  Sc  Sc10  1  -3.47899867  6.02580245  4.20067658  1
  Sc  Sc11  1  -0.99223779  1.71860627  1.40022552  1
  Sc  Sc12  1  0.99223779  1.71860627  4.20067658  1
  Sc  Sc13  1  6.95799734  0.00000000  4.20067658  1
  Sc  Sc14  1  1.98447559  0.00000000  1.40022552  1
  Sc  Sc15  1  3.47899867  6.02580245  1.40022552  1
[/CIF]
