# generated using pymatgen
data_Ca20Zn8GaHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84347286
_cell_length_b   7.84347286
_cell_length_c   15.42558663
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20Zn8GaHg3
_chemical_formula_sum   'Ca20 Zn8 Ga1 Hg3'
_cell_volume   948.98311565
_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  0.67634341  0.16865854  0.10087997  1.0
  Ca  Ca1  1  0.17228190  0.67166846  0.60487157  1.0
  Ca  Ca2  1  0.32365659  0.83134146  0.10087997  1.0
  Ca  Ca3  1  0.82771810  0.32833154  0.60487157  1.0
  Ca  Ca4  1  0.83134146  0.67634341  0.10087997  1.0
  Ca  Ca5  1  0.32833154  0.17228190  0.60487157  1.0
  Ca  Ca6  1  0.16865854  0.32365659  0.10087997  1.0
  Ca  Ca7  1  0.67166846  0.82771810  0.60487157  1.0
  Ca  Ca8  1  0.83134146  0.32365659  0.89912003  1.0
  Ca  Ca9  1  0.32833154  0.82771810  0.39512843  1.0
  Ca  Ca10  1  0.16865854  0.67634341  0.89912003  1.0
  Ca  Ca11  1  0.67166846  0.17228190  0.39512843  1.0
  Ca  Ca12  1  0.67634341  0.83134146  0.89912003  1.0
  Ca  Ca13  1  0.17228190  0.32833154  0.39512843  1.0
  Ca  Ca14  1  0.32365659  0.16865854  0.89912003  1.0
  Ca  Ca15  1  0.82771810  0.67166846  0.39512843  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.75662883  1.0
  Ca  Ca17  1  0.00000000  0.00000000  0.24853561  1.0
  Ca  Ca18  1  0.00000000  0.00000000  0.75146439  1.0
  Ca  Ca19  1  0.50000000  0.50000000  0.24337117  1.0
  Zn  Zn20  1  0.61367528  0.11414875  0.75093591  1.0
  Zn  Zn21  1  0.11414875  0.61367528  0.24906409  1.0
  Zn  Zn22  1  0.88585125  0.38632472  0.24906409  1.0
  Zn  Zn23  1  0.38632472  0.88585125  0.75093591  1.0
  Zn  Zn24  1  0.88585125  0.61367528  0.75093591  1.0
  Zn  Zn25  1  0.38632472  0.11414875  0.24906409  1.0
  Zn  Zn26  1  0.11414875  0.38632472  0.75093591  1.0
  Zn  Zn27  1  0.61367528  0.88585125  0.24906409  1.0
  Ga  Ga28  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg29  1  0.50000000  0.50000000  0.50000000  1.0
  Hg  Hg30  1  0.50000000  0.50000000  0.00000000  1.0
  Hg  Hg31  1  0.00000000  0.00000000  0.50000000  1.0