# generated using pymatgen
data_MgScSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23217795
_cell_length_b   7.23217795
_cell_length_c   7.23217832
_cell_angle_alpha   56.17814524
_cell_angle_beta   56.17814524
_cell_angle_gamma   56.17814611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScSe3
_chemical_formula_sum   'Mg2 Sc2 Se6'
_cell_volume   243.81679483
_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  0.15388900  0.15388900  0.15388900  1.0
  Mg  Mg1  1  0.84611100  0.84611100  0.84611100  1.0
  Sc  Sc2  1  0.34275300  0.34275300  0.34275300  1.0
  Sc  Sc3  1  0.65724700  0.65724700  0.65724700  1.0
  Se  Se4  1  0.93585400  0.56887800  0.25042500  1.0
  Se  Se5  1  0.06414600  0.43112200  0.74957500  1.0
  Se  Se6  1  0.56887800  0.25042500  0.93585400  1.0
  Se  Se7  1  0.43112200  0.74957500  0.06414600  1.0
  Se  Se8  1  0.25042500  0.93585400  0.56887800  1.0
  Se  Se9  1  0.74957500  0.06414600  0.43112200  1.0