# generated using pymatgen
data_CaNb6CrSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07416982
_cell_length_b   6.07416992
_cell_length_c   13.86138431
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb6CrSe12
_chemical_formula_sum   'Ca1 Nb6 Cr1 Se12'
_cell_volume   442.90548316
_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  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb1  1  0.33333300  0.66666700  0.97908809  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.97860430  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.52139570  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.52091191  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.97971291  1.0
  Nb  Nb6  1  0.66666700  0.33333300  0.52028709  1.0
  Cr  Cr7  1  0.66666700  0.33333300  0.75000000  1.0
  Se  Se8  1  0.33245926  0.00321610  0.09960231  1.0
  Se  Se9  1  0.66652446  0.99727230  0.64045742  1.0
  Se  Se10  1  0.99678390  0.32924215  0.09960231  1.0
  Se  Se11  1  0.67075785  0.00321610  0.40039769  1.0
  Se  Se12  1  0.33245926  0.32924215  0.40039769  1.0
  Se  Se13  1  0.99678390  0.66754074  0.40039769  1.0
  Se  Se14  1  0.67075785  0.66754074  0.09960231  1.0
  Se  Se15  1  0.33074784  0.33347554  0.64045742  1.0
  Se  Se16  1  0.00272770  0.66925216  0.64045742  1.0
  Se  Se17  1  0.33074784  0.99727230  0.85954258  1.0
  Se  Se18  1  0.66652446  0.66925216  0.85954258  1.0
  Se  Se19  1  0.00272770  0.33347554  0.85954258  1.0