# generated using pymatgen
data_MgSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33299208
_cell_length_b   8.40938990
_cell_length_c   5.23302645
_cell_angle_alpha   90.00000741
_cell_angle_beta   90.00000991
_cell_angle_gamma   78.56420973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2
_chemical_formula_sum   'Mg2 Sc4'
_cell_volume   143.76168163
_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  0.32556328  0.34325212  0.00000000  1.0
  Mg  Mg1  1  0.44806984  0.10068007  0.49999996  1.0
  Sc  Sc2  1  0.99345582  0.01449923  0.00000003  1.0
  Sc  Sc3  1  0.66525529  0.67211940  -0.00000006  1.0
  Sc  Sc4  1  0.78556746  0.43016379  0.49999996  1.0
  Sc  Sc5  1  0.11541830  0.77261940  0.50000011  1.0