# generated using pymatgen
data_Mg(ScSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90714318
_cell_length_b   7.90714318
_cell_length_c   7.90714318
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(ScSe2)2
_chemical_formula_sum   'Mg2 Sc4 Se8'
_cell_volume   349.57777225
_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  0.37500000  0.37500000  0.37500000  1.0
  Mg  Mg1  1  0.62500000  0.62500000  0.62500000  1.0
  Sc  Sc2  1  -0.00000000  -0.00000000  0.50000000  1.0
  Sc  Sc3  1  -0.00000000  0.50000000  0.00000000  1.0
  Sc  Sc4  1  0.50000000  -0.00000000  0.00000000  1.0
  Sc  Sc5  1  -0.00000000  -0.00000000  0.00000000  1.0
  Se  Se6  1  0.24266969  0.24266969  0.77198993  1.0
  Se  Se7  1  0.24266969  0.77198993  0.24266969  1.0
  Se  Se8  1  0.77198993  0.24266969  0.24266969  1.0
  Se  Se9  1  0.24266969  0.24266969  0.24266969  1.0
  Se  Se10  1  0.75733031  0.75733031  0.22801007  1.0
  Se  Se11  1  0.75733031  0.22801007  0.75733031  1.0
  Se  Se12  1  0.22801007  0.75733031  0.75733031  1.0
  Se  Se13  1  0.75733031  0.75733031  0.75733031  1.0