# generated using pymatgen
data_MgSc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28073281
_cell_length_b   3.28073281
_cell_length_c   10.64512152
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc3
_chemical_formula_sum   'Mg1 Sc3'
_cell_volume   99.22541718
_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  0.33333300  0.66666700  0.50000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.75368042  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.00000000  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.24631958  1.0