# generated using pymatgen
data_NaCa21(Al4Sn3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.59012033
_cell_length_b   11.59012125
_cell_length_c   11.59012098
_cell_angle_alpha   60.00000364
_cell_angle_beta   60.00000100
_cell_angle_gamma   59.99999837
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa21(Al4Sn3)2
_chemical_formula_sum   'Na1 Ca21 Al8 Sn6'
_cell_volume   1100.90262032
_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  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.87181826  0.87181826  0.38454523  1.0
  Ca  Ca2  1  0.61545477  0.12818174  0.12818174  1.0
  Ca  Ca3  1  0.87181826  0.38454523  0.87181826  1.0
  Ca  Ca4  1  0.12818174  0.12818174  0.12818174  1.0
  Ca  Ca5  1  0.38454523  0.87181826  0.87181826  1.0
  Ca  Ca6  1  0.87181826  0.87181826  0.87181826  1.0
  Ca  Ca7  1  0.17098006  0.82901994  0.50000000  1.0
  Ca  Ca8  1  0.82901994  0.50000000  0.50000000  1.0
  Ca  Ca9  1  0.12818174  0.12818174  0.61545477  1.0
  Ca  Ca10  1  0.82901994  0.17098006  0.50000000  1.0
  Ca  Ca11  1  0.17098006  0.50000000  0.50000000  1.0
  Ca  Ca12  1  0.12818174  0.61545477  0.12818174  1.0
  Ca  Ca13  1  0.50000000  0.50000000  0.17098006  1.0
  Ca  Ca14  1  0.50000000  0.17098006  0.82901994  1.0
  Ca  Ca15  1  0.50000000  0.82901994  0.17098006  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.82901994  1.0
  Ca  Ca17  1  0.50000000  0.17098006  0.50000000  1.0
  Ca  Ca18  1  0.17098006  0.50000000  0.82901994  1.0
  Ca  Ca19  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca20  1  0.50000000  0.82901994  0.50000000  1.0
  Ca  Ca21  1  0.82901994  0.50000000  0.17098006  1.0
  Al  Al22  1  0.69228192  0.92315524  0.69228192  1.0
  Al  Al23  1  0.69228192  0.69228192  0.92315524  1.0
  Al  Al24  1  0.69228192  0.69228192  0.69228192  1.0
  Al  Al25  1  0.30771808  0.07684476  0.30771808  1.0
  Al  Al26  1  0.92315524  0.69228192  0.69228192  1.0
  Al  Al27  1  0.30771808  0.30771808  0.07684476  1.0
  Al  Al28  1  0.07684476  0.30771808  0.30771808  1.0
  Al  Al29  1  0.30771808  0.30771808  0.30771808  1.0
  Sn  Sn30  1  0.78360616  0.21639384  0.78360616  1.0
  Sn  Sn31  1  0.78360616  0.21639384  0.21639384  1.0
  Sn  Sn32  1  0.21639384  0.78360616  0.21639384  1.0
  Sn  Sn33  1  0.21639384  0.78360616  0.78360616  1.0
  Sn  Sn34  1  0.78360616  0.78360616  0.21639384  1.0
  Sn  Sn35  1  0.21639384  0.21639384  0.78360616  1.0