# generated using pymatgen
data_CaSm(NbSe2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10239631
_cell_length_b   6.10239595
_cell_length_c   14.74356695
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000194
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm(NbSe2)6
_chemical_formula_sum   'Ca1 Sm1 Nb6 Se12'
_cell_volume   475.48189133
_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
  Sm  Sm1  1  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.00363098  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.00178076  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.00099156  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.49636902  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.49821924  1.0
  Nb  Nb7  1  0.66666700  0.33333300  0.49900844  1.0
  Se  Se8  1  0.67386345  0.66591103  0.38530845  1.0
  Se  Se9  1  0.66549743  0.67122304  0.61002646  1.0
  Se  Se10  1  0.00572561  0.67122304  0.88997354  1.0
  Se  Se11  1  0.66549743  0.99427439  0.88997354  1.0
  Se  Se12  1  0.67386345  0.00795242  0.11469155  1.0
  Se  Se13  1  0.33408897  0.00795242  0.38530845  1.0
  Se  Se14  1  0.00572561  0.33450257  0.61002646  1.0
  Se  Se15  1  0.32877696  0.99427439  0.61002646  1.0
  Se  Se16  1  0.99204758  0.66591103  0.11469155  1.0
  Se  Se17  1  0.32877696  0.33450257  0.88997354  1.0
  Se  Se18  1  0.99204758  0.32613655  0.38530845  1.0
  Se  Se19  1  0.33408897  0.32613655  0.11469155  1.0