# generated using pymatgen
data_Mg5Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29084017
_cell_length_b   8.29084017
_cell_length_c   5.16169243
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.15529151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Sc
_chemical_formula_sum   'Mg5 Sc1'
_cell_volume   137.74748517
_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  0.99446837  0.00553163  0.00000000  1.0
  Mg  Mg1  1  0.32876229  0.67123771  0.00000000  1.0
  Mg  Mg2  1  0.66507879  0.33492121  0.00000000  1.0
  Mg  Mg3  1  0.44742316  0.55257684  0.50000000  1.0
  Mg  Mg4  1  0.11356125  0.88643875  0.50000000  1.0
  Sc  Sc5  1  0.78403915  0.21596085  0.50000000  1.0