# generated using pymatgen
data_Ca(NbSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09133711
_cell_length_b   6.09133719
_cell_length_c   14.85952475
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NbSe2)3
_chemical_formula_sum   'Ca2 Nb6 Se12'
_cell_volume   477.48617833
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.25000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.75000000  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.00066625  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.99933375  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.49933375  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb7  1  0.66666700  0.33333300  0.50066625  1.0
  Se  Se8  1  0.67142765  0.66609753  0.38841211  1.0
  Se  Se9  1  0.66609753  0.67142765  0.61158789  1.0
  Se  Se10  1  0.00533012  0.67142765  0.88841211  1.0
  Se  Se11  1  0.66609753  0.99466988  0.88841211  1.0
  Se  Se12  1  0.67142765  0.00533012  0.11158789  1.0
  Se  Se13  1  0.33390247  0.00533012  0.38841211  1.0
  Se  Se14  1  0.00533012  0.33390247  0.61158789  1.0
  Se  Se15  1  0.32857235  0.99466988  0.61158789  1.0
  Se  Se16  1  0.99466988  0.66609753  0.11158789  1.0
  Se  Se17  1  0.32857235  0.33390247  0.88841211  1.0
  Se  Se18  1  0.99466988  0.32857235  0.38841211  1.0
  Se  Se19  1  0.33390247  0.32857235  0.11158789  1.0