# generated using pymatgen
data_CaGdHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28368854
_cell_length_b   5.29451755
_cell_length_c   5.28372219
_cell_angle_alpha   59.98192340
_cell_angle_beta   60.09615833
_cell_angle_gamma   59.98027975
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGdHg2
_chemical_formula_sum   'Ca1 Gd1 Hg2'
_cell_volume   104.56320768
_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  0.25000075  0.24999921  0.25000078  1.0
  Gd  Gd1  1  0.74999922  0.75000149  0.74999926  1.0
  Hg  Hg2  1  0.00167944  0.99864229  0.00005394  1.0
  Hg  Hg3  1  0.49831959  0.50135600  0.49994602  1.0