# generated using pymatgen
data_Mg2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12861192
_cell_length_b   6.12861192
_cell_length_c   7.66013523
_cell_angle_alpha   75.82730746
_cell_angle_beta   75.82730746
_cell_angle_gamma   30.20758366
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Sc
_chemical_formula_sum   'Mg4 Sc2'
_cell_volume   140.02617752
_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  0.02795199  0.02795199  0.69401543  1.0
  Mg  Mg1  1  0.30572140  0.30572140  0.64063294  1.0
  Mg  Mg2  1  0.69427860  0.69427860  0.35936706  1.0
  Mg  Mg3  1  0.97204801  0.97204801  0.30598457  1.0
  Sc  Sc4  1  0.36167244  0.36167244  0.02744704  1.0
  Sc  Sc5  1  0.63832756  0.63832756  0.97255296  1.0