# generated using pymatgen
data_Mn(NbS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83838859
_cell_length_b   5.83838859
_cell_length_c   12.41509197
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(NbS2)3
_chemical_formula_sum   'Mn2 Nb6 S12'
_cell_volume   366.49374542
_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
  Mn  Mn0  1  0.66666700  0.33333300  0.75000000  1
  Mn  Mn1  1  0.33333300  0.66666700  0.25000000  1
  Nb  Nb2  1  0.33333300  0.66666700  0.50119600  1
  Nb  Nb3  1  0.66666700  0.33333300  0.00119600  1
  Nb  Nb4  1  0.66666700  0.33333300  0.49880400  1
  Nb  Nb5  1  0.33333300  0.66666700  0.99880400  1
  Nb  Nb6  1  0.00000000  0.00000000  0.50000000  1
  Nb  Nb7  1  0.00000000  0.00000000  0.00000000  1
  S  S8  1  0.33254100  0.33100400  0.12637800  1
  S  S9  1  0.66899600  0.00153700  0.12637800  1
  S  S10  1  0.99846300  0.66745900  0.12637800  1
  S  S11  1  0.00153700  0.33254100  0.62637800  1
  S  S12  1  0.66745900  0.99846300  0.87362200  1
  S  S13  1  0.66745900  0.66899600  0.62637800  1
  S  S14  1  0.33100400  0.99846300  0.62637800  1
  S  S15  1  0.66899600  0.66745900  0.37362200  1
  S  S16  1  0.33254100  0.00153700  0.37362200  1
  S  S17  1  0.33100400  0.33254100  0.87362200  1
  S  S18  1  0.00153700  0.66899600  0.87362200  1
  S  S19  1  0.99846300  0.33100400  0.37362200  1
