# generated using pymatgen
data_CaNb9Se16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01469614
_cell_length_b   7.01469668
_cell_length_c   14.05574032
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb9Se16
_chemical_formula_sum   'Ca1 Nb9 Se16'
_cell_volume   598.96588338
_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  0.00000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.26548827  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.73451173  1.0
  Nb  Nb3  1  0.50830049  0.01660198  0.26620449  1.0
  Nb  Nb4  1  0.49169951  0.98339802  0.73379551  1.0
  Nb  Nb5  1  0.98339802  0.49169951  0.26620449  1.0
  Nb  Nb6  1  0.01660198  0.50830049  0.73379551  1.0
  Nb  Nb7  1  0.50830049  0.49169951  0.26620449  1.0
  Nb  Nb8  1  0.49169951  0.50830049  0.73379551  1.0
  Nb  Nb9  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se10  1  0.33333300  0.66666700  0.61146679  1.0
  Se  Se11  1  0.66666700  0.33333300  0.38853321  1.0
  Se  Se12  1  0.66666700  0.33333300  0.14335677  1.0
  Se  Se13  1  0.33333300  0.66666700  0.85664323  1.0
  Se  Se14  1  0.16885837  0.33771774  0.14866663  1.0
  Se  Se15  1  0.83114163  0.66228226  0.85133337  1.0
  Se  Se16  1  0.66228226  0.83114163  0.14866663  1.0
  Se  Se17  1  0.83150636  0.66301272  0.61741324  1.0
  Se  Se18  1  0.33771774  0.16885837  0.85133337  1.0
  Se  Se19  1  0.16849364  0.33698728  0.38258676  1.0
  Se  Se20  1  0.16885837  0.83114163  0.14866663  1.0
  Se  Se21  1  0.33698728  0.16849364  0.61741324  1.0
  Se  Se22  1  0.83114163  0.16885837  0.85133337  1.0
  Se  Se23  1  0.66301272  0.83150636  0.38258676  1.0
  Se  Se24  1  0.83150636  0.16849364  0.61741324  1.0
  Se  Se25  1  0.16849364  0.83150636  0.38258676  1.0