# generated using pymatgen
data_CaNd(NbSe2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10289082
_cell_length_b   6.10289085
_cell_length_c   14.84402572
_cell_angle_alpha   89.99989368
_cell_angle_beta   89.99989368
_cell_angle_gamma   119.99940383
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd(NbSe2)6
_chemical_formula_sum   'Ca1 Nd1 Nb6 Se12'
_cell_volume   478.80220604
_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  0.66666688  0.33333312  0.75000000  1.0
  Nd  Nd1  1  0.33333359  0.66666641  0.25000000  1.0
  Nb  Nb2  1  0.33333184  0.66666519  0.00173729  1.0
  Nb  Nb3  1  0.00000010  0.99999946  0.99947661  1.0
  Nb  Nb4  1  0.66666695  0.33333129  0.99875972  1.0
  Nb  Nb5  1  0.33333481  0.66666816  0.49826271  1.0
  Nb  Nb6  1  0.00000054  0.99999990  0.50052339  1.0
  Nb  Nb7  1  0.66666871  0.33333305  0.50124028  1.0
  Se  Se8  1  0.67420547  0.66599351  0.38817237  1.0
  Se  Se9  1  0.66508065  0.67134342  0.61134168  1.0
  Se  Se10  1  0.00626323  0.67134275  0.88865807  1.0
  Se  Se11  1  0.66507889  0.99373302  0.88865797  1.0
  Se  Se12  1  0.67422115  0.00823508  0.11182895  1.0
  Se  Se13  1  0.33400725  0.00821227  0.38817218  1.0
  Se  Se14  1  0.00626698  0.33492111  0.61134203  1.0
  Se  Se15  1  0.32865725  0.99373677  0.61134193  1.0
  Se  Se16  1  0.99178773  0.66599275  0.11182782  1.0
  Se  Se17  1  0.32865658  0.33491935  0.88865832  1.0
  Se  Se18  1  0.99176492  0.32577885  0.38817105  1.0
  Se  Se19  1  0.33400649  0.32579453  0.11182763  1.0