# generated using pymatgen
data_MgNb6VSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07991688
_cell_length_b   6.07991841
_cell_length_c   13.15502807
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb6VSe12
_chemical_formula_sum   'Mg1 Nb6 V1 Se12'
_cell_volume   421.13160981
_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  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.50852257  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.99147743  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.99103164  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.99162610  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.50837390  1.0
  Nb  Nb6  1  0.33333300  0.66666700  0.50896836  1.0
  V  V7  1  0.66666700  0.33333300  0.75000000  1.0
  Se  Se8  1  0.33272909  0.32905606  0.38159788  1.0
  Se  Se9  1  0.67094394  0.00367304  0.38159788  1.0
  Se  Se10  1  0.99632696  0.66727091  0.38159788  1.0
  Se  Se11  1  0.33022179  0.33293304  0.63395460  1.0
  Se  Se12  1  0.00271125  0.66977821  0.63395460  1.0
  Se  Se13  1  0.66706696  0.99728875  0.63395460  1.0
  Se  Se14  1  0.66706696  0.66977821  0.86604540  1.0
  Se  Se15  1  0.33022179  0.99728875  0.86604540  1.0
  Se  Se16  1  0.00271125  0.33293304  0.86604540  1.0
  Se  Se17  1  0.67094394  0.66727091  0.11840212  1.0
  Se  Se18  1  0.99632696  0.32905606  0.11840212  1.0
  Se  Se19  1  0.33272909  0.00367304  0.11840212  1.0