# generated using pymatgen
data_CaTb(NbSe2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09848902
_cell_length_b   6.09848927
_cell_length_c   14.58973926
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTb(NbSe2)6
_chemical_formula_sum   'Ca1 Tb1 Nb6 Se12'
_cell_volume   469.91862077
_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  0.66666700  0.33333300  0.75000000  1.0
  Tb  Tb1  1  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.00551210  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.00420651  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.00343590  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.49448790  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.49579349  1.0
  Nb  Nb7  1  0.66666700  0.33333300  0.49656410  1.0
  Se  Se8  1  0.67307660  0.66621520  0.38173687  1.0
  Se  Se9  1  0.66589810  0.67133270  0.60898926  1.0
  Se  Se10  1  0.00543560  0.67133270  0.89101074  1.0
  Se  Se11  1  0.66589810  0.99456440  0.89101074  1.0
  Se  Se12  1  0.67307660  0.00686040  0.11826313  1.0
  Se  Se13  1  0.33378480  0.00686040  0.38173687  1.0
  Se  Se14  1  0.00543560  0.33410190  0.60898926  1.0
  Se  Se15  1  0.32866730  0.99456440  0.60898926  1.0
  Se  Se16  1  0.99313960  0.66621520  0.11826313  1.0
  Se  Se17  1  0.32866730  0.33410190  0.89101074  1.0
  Se  Se18  1  0.99313960  0.32692340  0.38173687  1.0
  Se  Se19  1  0.33378480  0.32692340  0.11826313  1.0