# generated using pymatgen
data_CaYHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25762058
_cell_length_b   5.25762061
_cell_length_c   5.25762059
_cell_angle_alpha   60.00001223
_cell_angle_beta   60.00001170
_cell_angle_gamma   60.00001094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYHg2
_chemical_formula_sum   'Ca1 Y1 Hg2'
_cell_volume   102.76680266
_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  0.25000079  0.25000079  0.25000079  1.0
  Y  Y1  1  0.75000003  0.75000003  0.75000003  1.0
  Hg  Hg2  1  0.00000006  0.00000006  0.00000006  1.0
  Hg  Hg3  1  0.49999912  0.49999912  0.49999912  1.0