# generated using pymatgen
data_Ca20(MgAg3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17256782
_cell_length_b   8.17256782
_cell_length_c   14.88188397
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20(MgAg3)3
_chemical_formula_sum   'Ca20 Mg3 Ag9'
_cell_volume   993.97389973
_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  0.67345016  0.15754119  0.10629890  1.0
  Ca  Ca1  1  0.16490992  0.66436825  0.61001665  1.0
  Ca  Ca2  1  0.32654984  0.84245881  0.10629890  1.0
  Ca  Ca3  1  0.83509008  0.33563175  0.61001665  1.0
  Ca  Ca4  1  0.84245881  0.67345016  0.10629890  1.0
  Ca  Ca5  1  0.33563175  0.16490992  0.61001665  1.0
  Ca  Ca6  1  0.15754119  0.32654984  0.10629890  1.0
  Ca  Ca7  1  0.66436825  0.83509008  0.61001665  1.0
  Ca  Ca8  1  0.84245881  0.32654984  0.89370110  1.0
  Ca  Ca9  1  0.33563175  0.83509008  0.38998335  1.0
  Ca  Ca10  1  0.15754119  0.67345016  0.89370110  1.0
  Ca  Ca11  1  0.66436825  0.16490992  0.38998335  1.0
  Ca  Ca12  1  0.67345016  0.84245881  0.89370110  1.0
  Ca  Ca13  1  0.16490992  0.33563175  0.38998335  1.0
  Ca  Ca14  1  0.32654984  0.15754119  0.89370110  1.0
  Ca  Ca15  1  0.83509008  0.66436825  0.38998335  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.75451928  1.0
  Ca  Ca17  1  0.00000000  0.00000000  0.25019340  1.0
  Ca  Ca18  1  0.00000000  0.00000000  0.74980660  1.0
  Ca  Ca19  1  0.50000000  0.50000000  0.24548072  1.0
  Mg  Mg20  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg21  1  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg22  1  0.00000000  0.00000000  0.50000000  1.0
  Ag  Ag23  1  0.62505075  0.12605759  0.75172331  1.0
  Ag  Ag24  1  0.12605759  0.62505075  0.24827669  1.0
  Ag  Ag25  1  0.87394241  0.37494925  0.24827669  1.0
  Ag  Ag26  1  0.37494925  0.87394241  0.75172331  1.0
  Ag  Ag27  1  0.87394241  0.62505075  0.75172331  1.0
  Ag  Ag28  1  0.37494925  0.12605759  0.24827669  1.0
  Ag  Ag29  1  0.12605759  0.37494925  0.75172331  1.0
  Ag  Ag30  1  0.62505075  0.87394241  0.24827669  1.0
  Ag  Ag31  1  0.00000000  0.00000000  0.00000000  1.0