# generated using pymatgen
data_CaAcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54416049
_cell_length_b   5.54416048
_cell_length_c   5.54416048
_cell_angle_alpha   60.00006396
_cell_angle_beta   60.00006442
_cell_angle_gamma   60.00006434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAcHg2
_chemical_formula_sum   'Ca1 Ac1 Hg2'
_cell_volume   120.50165541
_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  0.74999920  0.74999920  0.74999920  1.0
  Ac  Ac1  1  0.25000079  0.25000079  0.25000079  1.0
  Hg  Hg2  1  -0.00000005  -0.00000005  -0.00000005  1.0
  Hg  Hg3  1  0.50000106  0.50000106  0.50000106  1.0