# generated using pymatgen
data_MgSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19779081
_cell_length_b   6.19779081
_cell_length_c   7.68803561
_cell_angle_alpha   76.37746439
_cell_angle_beta   76.37746439
_cell_angle_gamma   30.60873952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2
_chemical_formula_sum   'Mg2 Sc4'
_cell_volume   145.81583640
_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  0.36045061  0.36045061  0.02531290  1.0
  Mg  Mg1  1  0.63954939  0.63954939  0.97468710  1.0
  Sc  Sc2  1  0.02507644  0.02507644  0.69315880  1.0
  Sc  Sc3  1  0.30353373  0.30353373  0.63399373  1.0
  Sc  Sc4  1  0.69646627  0.69646627  0.36600627  1.0
  Sc  Sc5  1  0.97492356  0.97492356  0.30684120  1.0