# generated using pymatgen
data_Ca5Hg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22506606
_cell_length_b   8.22616409
_cell_length_c   9.32111308
_cell_angle_alpha   116.21059667
_cell_angle_beta   116.20929564
_cell_angle_gamma   89.97259002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Hg3
_chemical_formula_sum   'Ca10 Hg6'
_cell_volume   492.59449630
_cell_formula_units_Z   2
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  -0.00000000  -0.00000000  -0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  -0.00000000  1.0
  Ca  Ca2  1  0.31182559  0.81181014  0.29405075  1.0
  Ca  Ca3  1  0.48221732  0.31175955  0.29402863  1.0
  Ca  Ca4  1  0.81184582  0.98177123  0.29373138  1.0
  Ca  Ca5  1  0.51778368  0.68824045  0.70597137  1.0
  Ca  Ca6  1  0.18815418  0.01822877  0.70626862  1.0
  Ca  Ca7  1  0.01812020  0.51816880  0.70627166  1.0
  Ca  Ca8  1  0.68817441  0.18818986  0.70594925  1.0
  Ca  Ca9  1  0.98187980  0.48183120  0.29372834  1.0
  Hg  Hg10  1  0.24880621  0.24998429  0.50000124  1.0
  Hg  Hg11  1  0.75119379  0.75001571  0.49999876  1.0
  Hg  Hg12  1  0.36665296  0.86657534  0.00018671  1.0
  Hg  Hg13  1  0.13336613  0.36666304  0.00010664  1.0
  Hg  Hg14  1  0.86663387  0.63333696  0.99989336  1.0
  Hg  Hg15  1  0.63334704  0.13342466  0.99981329  1.0