# generated using pymatgen
data_Ca9Mg(Cu2Hg)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15898776
_cell_length_b   9.15898746
_cell_length_c   9.15898715
_cell_angle_alpha   130.23156258
_cell_angle_beta   130.23155184
_cell_angle_gamma   73.03684992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Mg(Cu2Hg)2
_chemical_formula_sum   'Ca9 Mg1 Cu4 Hg2'
_cell_volume   437.32097704
_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  0.54590680  0.02433493  0.84734438  1.0
  Ca  Ca1  1  0.17699155  0.69856342  0.15265562  1.0
  Ca  Ca2  1  0.02433493  0.17699155  0.47842812  1.0
  Ca  Ca3  1  0.69856342  0.54590680  0.52157188  1.0
  Ca  Ca4  1  0.45409320  0.97566507  0.15265562  1.0
  Ca  Ca5  1  0.82300845  0.30143658  0.84734438  1.0
  Ca  Ca6  1  0.97566507  0.82300845  0.52157188  1.0
  Ca  Ca7  1  0.30143658  0.45409320  0.47842812  1.0
  Ca  Ca8  1  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg9  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu10  1  0.61763978  0.89206137  0.50970115  1.0
  Cu  Cu11  1  0.38236022  0.10793863  0.49029885  1.0
  Cu  Cu12  1  0.10793863  0.61763978  0.72557841  1.0
  Cu  Cu13  1  0.89206137  0.38236022  0.27442159  1.0
  Hg  Hg14  1  0.26585809  0.26585809  0.00000000  1.0
  Hg  Hg15  1  0.73414191  0.73414191  1.00000000  1.0