# generated using pymatgen
data_NaCa21Ga13Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.32729904
_cell_length_b   11.31979925
_cell_length_c   11.32729987
_cell_angle_alpha   60.02190449
_cell_angle_beta   59.95619516
_cell_angle_gamma   60.02190491
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa21Ga13Ag
_chemical_formula_sum   'Na1 Ca21 Ga13 Ag1'
_cell_volume   1027.01343605
_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
  Na  Na0  1  0.49986228  0.50013772  0.49986228  1.0
  Ca  Ca1  1  0.99750366  0.00249634  0.99750366  1.0
  Ca  Ca2  1  0.12635640  0.13573437  0.12635640  1.0
  Ca  Ca3  1  0.38844618  0.87364360  0.86426563  1.0
  Ca  Ca4  1  0.87050075  0.38792772  0.87050075  1.0
  Ca  Ca5  1  0.86426563  0.87364360  0.38844618  1.0
  Ca  Ca6  1  0.12635640  0.61155382  0.12635640  1.0
  Ca  Ca7  1  0.12893122  0.12949925  0.61207228  1.0
  Ca  Ca8  1  0.61207228  0.12949925  0.12893122  1.0
  Ca  Ca9  1  0.87050075  0.87106878  0.87050075  1.0
  Ca  Ca10  1  0.49977960  0.83203889  0.49977960  1.0
  Ca  Ca11  1  0.83412969  0.49953539  0.50046461  1.0
  Ca  Ca12  1  0.50728153  0.83217371  0.16782629  1.0
  Ca  Ca13  1  0.16796111  0.50022040  0.83159708  1.0
  Ca  Ca14  1  0.83159708  0.50022040  0.16796111  1.0
  Ca  Ca15  1  0.50046461  0.49953539  0.83412969  1.0
  Ca  Ca16  1  0.16782629  0.83217371  0.50728153  1.0
  Ca  Ca17  1  0.50046461  0.16587031  0.83412969  1.0
  Ca  Ca18  1  0.50728153  0.49271847  0.16782629  1.0
  Ca  Ca19  1  0.83412969  0.16587031  0.50046461  1.0
  Ca  Ca20  1  0.16782629  0.49271847  0.50728153  1.0
  Ca  Ca21  1  0.49977960  0.16840292  0.49977960  1.0
  Ga  Ga22  1  0.21844589  0.78155411  0.78497881  1.0
  Ga  Ga23  1  0.78497881  0.21502119  0.21844589  1.0
  Ga  Ga24  1  0.78497881  0.78155411  0.21844589  1.0
  Ga  Ga25  1  0.21844589  0.21502119  0.78497881  1.0
  Ga  Ga26  1  0.78062521  0.21937479  0.78062521  1.0
  Ga  Ga27  1  0.30681443  0.31197335  0.30681343  1.0
  Ga  Ga28  1  0.92560020  0.69318657  0.68802665  1.0
  Ga  Ga29  1  0.69114456  0.92612040  0.69114456  1.0
  Ga  Ga30  1  0.68802665  0.69318657  0.92560020  1.0
  Ga  Ga31  1  0.30681343  0.07439980  0.30681343  1.0
  Ga  Ga32  1  0.30840851  0.30885544  0.07387960  1.0
  Ga  Ga33  1  0.07387960  0.30885544  0.30840851  1.0
  Ga  Ga34  1  0.69114456  0.69159149  0.69114356  1.0
  Ag  Ag35  1  0.21737524  0.78262476  0.21737524  1.0