# generated using pymatgen
data_Mg2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20250340
_cell_length_b   6.20250340
_cell_length_c   7.60584564
_cell_angle_alpha   75.26419764
_cell_angle_beta   75.26419764
_cell_angle_gamma   29.56560490
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Sc
_chemical_formula_sum   'Mg4 Sc2'
_cell_volume   139.29160795
_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  0.19761271  0.19761271  0.85842304  1.0
  Mg  Mg1  1  0.85779678  0.85779678  0.53191895  1.0
  Mg  Mg2  1  0.14220322  0.14220322  0.46808105  1.0
  Mg  Mg3  1  0.80238729  0.80238729  0.14157696  1.0
  Sc  Sc4  1  0.47633641  0.47633641  0.80353730  1.0
  Sc  Sc5  1  0.52366359  0.52366359  0.19646270  1.0