# generated using pymatgen
data_CaNb8NiSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00384145
_cell_length_b   7.00384047
_cell_length_c   13.73457844
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb8NiSe16
_chemical_formula_sum   'Ca1 Nb8 Ni1 Se16'
_cell_volume   583.46995494
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.22923382  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.77076618  1.0
  Nb  Nb3  1  0.50998645  0.01997390  0.22800505  1.0
  Nb  Nb4  1  0.98002610  0.49001355  0.22800505  1.0
  Nb  Nb5  1  0.50998645  0.49001355  0.22800505  1.0
  Nb  Nb6  1  0.49001355  0.98002610  0.77199495  1.0
  Nb  Nb7  1  0.01997390  0.50998645  0.77199495  1.0
  Nb  Nb8  1  0.49001355  0.50998645  0.77199495  1.0
  Ni  Ni9  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se10  1  0.33333300  0.66666700  0.89793626  1.0
  Se  Se11  1  0.66666700  0.33333300  0.10206374  1.0
  Se  Se12  1  0.66666700  0.33333300  0.35655751  1.0
  Se  Se13  1  0.33333300  0.66666700  0.64344249  1.0
  Se  Se14  1  0.16904392  0.83095608  0.34810919  1.0
  Se  Se15  1  0.16904392  0.33808784  0.34810919  1.0
  Se  Se16  1  0.66191216  0.83095608  0.34810919  1.0
  Se  Se17  1  0.83095608  0.16904392  0.65189081  1.0
  Se  Se18  1  0.83095608  0.66191216  0.65189081  1.0
  Se  Se19  1  0.33808784  0.16904392  0.65189081  1.0
  Se  Se20  1  0.83216602  0.16783398  0.89077208  1.0
  Se  Se21  1  0.83216602  0.66433004  0.89077208  1.0
  Se  Se22  1  0.33566996  0.16783398  0.89077208  1.0
  Se  Se23  1  0.16783398  0.83216602  0.10922792  1.0
  Se  Se24  1  0.16783398  0.33566996  0.10922792  1.0
  Se  Se25  1  0.66433004  0.83216602  0.10922792  1.0