# generated using pymatgen
data_CaTm(NbSe2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09878169
_cell_length_b   6.09878181
_cell_length_c   14.44200029
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm(NbSe2)6
_chemical_formula_sum   'Ca1 Tm1 Nb6 Se12'
_cell_volume   465.20475363
_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
  Tm  Tm1  1  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.00778203  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.00676293  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.00600574  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.49221797  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.49323707  1.0
  Nb  Nb7  1  0.66666700  0.33333300  0.49399426  1.0
  Se  Se8  1  0.67234094  0.66599813  0.37811025  1.0
  Se  Se9  1  0.66586278  0.67146645  0.60772441  1.0
  Se  Se10  1  0.00560367  0.67146645  0.89227559  1.0
  Se  Se11  1  0.66586278  0.99439633  0.89227559  1.0
  Se  Se12  1  0.67234094  0.00634281  0.12188975  1.0
  Se  Se13  1  0.33400187  0.00634281  0.37811025  1.0
  Se  Se14  1  0.00560367  0.33413722  0.60772441  1.0
  Se  Se15  1  0.32853355  0.99439633  0.60772441  1.0
  Se  Se16  1  0.99365719  0.66599813  0.12188975  1.0
  Se  Se17  1  0.32853355  0.33413722  0.89227559  1.0
  Se  Se18  1  0.99365719  0.32765906  0.37811025  1.0
  Se  Se19  1  0.33400187  0.32765906  0.12188975  1.0