# generated using pymatgen
data_Ca20Cd3(AgHg2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13502271
_cell_length_b   8.13394802
_cell_length_c   15.01402037
_cell_angle_alpha   89.99684834
_cell_angle_beta   90.01131207
_cell_angle_gamma   90.01752481
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20Cd3(AgHg2)3
_chemical_formula_sum   'Ca20 Cd3 Ag3 Hg6'
_cell_volume   993.47543740
_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  0.67208424  0.16577866  0.10591460  1.0
  Ca  Ca1  1  0.16763010  0.66611047  0.60469275  1.0
  Ca  Ca2  1  0.32934007  0.83578407  0.10581465  1.0
  Ca  Ca3  1  0.83097481  0.33236070  0.60614377  1.0
  Ca  Ca4  1  0.83669497  0.67027154  0.10515402  1.0
  Ca  Ca5  1  0.33440313  0.16676196  0.60445166  1.0
  Ca  Ca6  1  0.16345483  0.33010951  0.10511910  1.0
  Ca  Ca7  1  0.66561253  0.83297338  0.60440867  1.0
  Ca  Ca8  1  0.83488517  0.32766800  0.89531237  1.0
  Ca  Ca9  1  0.33342912  0.83254242  0.39266424  1.0
  Ca  Ca10  1  0.16370550  0.67082196  0.89673207  1.0
  Ca  Ca11  1  0.66812253  0.16911836  0.39255219  1.0
  Ca  Ca12  1  0.67038301  0.83698553  0.89702325  1.0
  Ca  Ca13  1  0.16695928  0.33419889  0.39332272  1.0
  Ca  Ca14  1  0.32927172  0.16280825  0.89720634  1.0
  Ca  Ca15  1  0.83345895  0.66617151  0.39331316  1.0
  Ca  Ca16  1  0.50114627  0.49814518  0.75342206  1.0
  Ca  Ca17  1  0.00077913  0.00033152  0.25073783  1.0
  Ca  Ca18  1  0.99832932  0.00098792  0.74833816  1.0
  Ca  Ca19  1  0.50023575  0.50079424  0.24702998  1.0
  Cd  Cd20  1  0.49976910  0.49935568  0.49800472  1.0
  Cd  Cd21  1  0.49970837  0.49924770  0.00175752  1.0
  Cd  Cd22  1  0.99929897  0.99977677  0.49812881  1.0
  Ag  Ag23  1  0.62596438  0.12614398  0.75083723  1.0
  Ag  Ag24  1  0.12457737  0.62408614  0.24917452  1.0
  Ag  Ag25  1  0.87637017  0.37696411  0.24919287  1.0
  Hg  Hg26  1  0.37198323  0.87143038  0.75083902  1.0
  Hg  Hg27  1  0.86862852  0.63263007  0.75076993  1.0
  Hg  Hg28  1  0.36873709  0.13271306  0.24918482  1.0
  Hg  Hg29  1  0.13293922  0.36865314  0.75080004  1.0
  Hg  Hg30  1  0.63241339  0.86858932  0.24920312  1.0
  Hg  Hg31  1  0.99871275  0.99968859  0.00275481  1.0