# generated using pymatgen
data_CaLa(NbSe2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09925741
_cell_length_b   6.09925685
_cell_length_c   15.01156944
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa(NbSe2)6
_chemical_formula_sum   'Ca1 La1 Nb6 Se12'
_cell_volume   483.62707163
_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
  La  La1  1  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.99902349  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.99712290  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.99656165  1.0
  Nb  Nb5  1  0.33333300  0.66666700  0.50097651  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.50287710  1.0
  Nb  Nb7  1  0.66666700  0.33333300  0.50343835  1.0
  Se  Se8  1  0.67347951  0.66614507  0.39167942  1.0
  Se  Se9  1  0.66570064  0.67100142  0.61251800  1.0
  Se  Se10  1  0.00529979  0.67100142  0.88748200  1.0
  Se  Se11  1  0.66570064  0.99470021  0.88748200  1.0
  Se  Se12  1  0.67347951  0.00733444  0.10832058  1.0
  Se  Se13  1  0.33385493  0.00733444  0.39167942  1.0
  Se  Se14  1  0.00529979  0.33429936  0.61251800  1.0
  Se  Se15  1  0.32899858  0.99470021  0.61251800  1.0
  Se  Se16  1  0.99266556  0.66614507  0.10832058  1.0
  Se  Se17  1  0.32899858  0.33429936  0.88748200  1.0
  Se  Se18  1  0.99266556  0.32652049  0.39167942  1.0
  Se  Se19  1  0.33385493  0.32652049  0.10832058  1.0