# generated using pymatgen
data_CaEr5(CdHg2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03572251
_cell_length_b   7.14052746
_cell_length_c   15.04569684
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00102211
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr5(CdHg2)6
_chemical_formula_sum   'Ca1 Er5 Cd6 Hg12'
_cell_volume   541.00887666
_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  0.50022945  0.00000000  0.83334573  1.0
  Er  Er1  1  0.99994445  0.50000100  0.00090504  1.0
  Er  Er2  1  0.49984450  0.00000000  0.16724456  1.0
  Er  Er3  1  0.99975316  0.50000100  0.33336379  1.0
  Er  Er4  1  0.49998984  0.00000000  0.49941607  1.0
  Er  Er5  1  0.00015954  0.50000100  0.66577616  1.0
  Cd  Cd6  1  0.99997772  0.00000000  0.99830273  1.0
  Cd  Cd7  1  0.49990380  0.50000100  0.16957640  1.0
  Cd  Cd8  1  0.99967196  0.00000000  0.33334394  1.0
  Cd  Cd9  1  0.50000716  0.50000100  0.49703526  1.0
  Cd  Cd10  1  0.00022211  0.00000000  0.66840185  1.0
  Cd  Cd11  1  0.50033033  0.50000100  0.83339127  1.0
  Hg  Hg12  1  0.49993457  0.25173092  0.00201547  1.0
  Hg  Hg13  1  0.49993457  0.74826908  0.00201547  1.0
  Hg  Hg14  1  0.99986320  0.24955406  0.16662406  1.0
  Hg  Hg15  1  0.99986320  0.75044594  0.16662406  1.0
  Hg  Hg16  1  0.49971218  0.24859733  0.33333286  1.0
  Hg  Hg17  1  0.49971218  0.75140167  0.33333286  1.0
  Hg  Hg18  1  0.00001291  0.24953102  0.50002914  1.0
  Hg  Hg19  1  0.00001291  0.75046798  0.50002914  1.0
  Hg  Hg20  1  0.50018720  0.25168841  0.66460177  1.0
  Hg  Hg21  1  0.50018720  0.74831059  0.66460177  1.0
  Hg  Hg22  1  0.00027045  0.25767643  0.83334380  1.0
  Hg  Hg23  1  0.00027045  0.74232357  0.83334380  1.0