# generated using pymatgen
data_Ca2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00652613
_cell_length_b   7.74146232
_cell_length_c   9.74295320
_cell_angle_alpha   89.99948856
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Hg
_chemical_formula_sum   'Ca8 Hg4'
_cell_volume   377.61575684
_cell_formula_units_Z   4
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  0.75000000  0.47459668  0.67547834  1.0
  Ca  Ca1  1  0.75000000  0.97458644  0.82464472  1.0
  Ca  Ca2  1  0.25000000  0.52541616  0.32450612  1.0
  Ca  Ca3  1  0.25000000  0.02541285  0.17538658  1.0
  Ca  Ca4  1  0.75000000  0.34940836  0.06961059  1.0
  Ca  Ca5  1  0.75000000  0.84940360  0.43032565  1.0
  Ca  Ca6  1  0.25000000  0.65057451  0.93046815  1.0
  Ca  Ca7  1  0.25000000  0.15058961  0.56957986  1.0
  Hg  Hg8  1  0.75000000  0.75318846  0.11745555  1.0
  Hg  Hg9  1  0.75000000  0.25321546  0.38249203  1.0
  Hg  Hg10  1  0.25000000  0.24679924  0.88257057  1.0
  Hg  Hg11  1  0.25000000  0.74680764  0.61748284  1.0