# generated using pymatgen
data_Nb2CS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09605483
_cell_length_b   9.09605483
_cell_length_c   9.09605478
_cell_angle_alpha   20.93747684
_cell_angle_beta   20.93747684
_cell_angle_gamma   20.93747295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CS2
_chemical_formula_sum   'Nb2 C1 S2'
_cell_volume   84.15491368
_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
  Nb  Nb0  1  0.62171003  0.62171003  0.62171003  1.0
  Nb  Nb1  1  0.37828997  0.37828997  0.37828997  1.0
  C  C2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.77232378  0.77232378  0.77232378  1.0
  S  S4  1  0.22767622  0.22767622  0.22767622  1.0