# generated using pymatgen
data_Mg2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39774735
_cell_length_b   8.39774735
_cell_length_c   5.16158078
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.54839540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Sc
_chemical_formula_sum   'Mg4 Sc2'
_cell_volume   139.01489357
_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  0.11043775  0.88956225  0.25000000  1.0
  Mg  Mg1  1  0.77520813  0.22479187  0.25000000  1.0
  Mg  Mg2  1  0.88956225  0.11043775  0.75000000  1.0
  Mg  Mg3  1  0.22479187  0.77520813  0.75000000  1.0
  Sc  Sc4  1  0.44269195  0.55730805  0.25000000  1.0
  Sc  Sc5  1  0.55730805  0.44269195  0.75000000  1.0