# generated using pymatgen
data_MgSc(NbSe2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08893792
_cell_length_b   6.08893853
_cell_length_c   13.48570190
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc(NbSe2)6
_chemical_formula_sum   'Mg1 Sc1 Nb6 Se12'
_cell_volume   432.99946661
_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  0.66666700  0.33333300  0.75000000  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.49986408  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.00013592  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.00092631  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.00016771  1.0
  Nb  Nb6  1  0.66666700  0.33333300  0.49983229  1.0
  Nb  Nb7  1  0.33333300  0.66666700  0.49907369  1.0
  Se  Se8  1  0.33360690  0.32836068  0.37619428  1.0
  Se  Se9  1  0.67163932  0.00524622  0.37619428  1.0
  Se  Se10  1  0.99475378  0.66639310  0.37619428  1.0
  Se  Se11  1  0.32860337  0.33358321  0.62265885  1.0
  Se  Se12  1  0.00497984  0.67139663  0.62265885  1.0
  Se  Se13  1  0.66641679  0.99502016  0.62265885  1.0
  Se  Se14  1  0.66641679  0.67139663  0.87734115  1.0
  Se  Se15  1  0.32860337  0.99502016  0.87734115  1.0
  Se  Se16  1  0.00497984  0.33358321  0.87734115  1.0
  Se  Se17  1  0.67163932  0.66639310  0.12380572  1.0
  Se  Se18  1  0.99475378  0.32836068  0.12380572  1.0
  Se  Se19  1  0.33360690  0.00524622  0.12380572  1.0