# generated using pymatgen
data_Mg(NbS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84145901
_cell_length_b   5.84146032
_cell_length_c   12.90686950
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999822
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(NbS2)3
_chemical_formula_sum   'Mg2 Nb6 S12'
_cell_volume   381.41197368
_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  0.33333300  0.66666700  0.25000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.75000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.99807077  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.00192923  1.0
  Nb  Nb6  1  0.66666700  0.33333300  0.49807077  1.0
  Nb  Nb7  1  0.33333300  0.66666700  0.50192923  1.0
  S  S8  1  0.33238554  0.33230993  0.37882365  1.0
  S  S9  1  0.66769007  0.00007461  0.37882365  1.0
  S  S10  1  0.99992539  0.66761446  0.37882365  1.0
  S  S11  1  0.33230993  0.33238554  0.62117635  1.0
  S  S12  1  0.00007461  0.66769007  0.62117635  1.0
  S  S13  1  0.66761446  0.99992539  0.62117635  1.0
  S  S14  1  0.66761446  0.66769007  0.87882365  1.0
  S  S15  1  0.33230993  0.99992539  0.87882365  1.0
  S  S16  1  0.00007461  0.33238554  0.87882365  1.0
  S  S17  1  0.66769007  0.66761446  0.12117635  1.0
  S  S18  1  0.99992539  0.33230993  0.12117635  1.0
  S  S19  1  0.33238554  0.00007461  0.12117635  1.0