# generated using pymatgen
data_CaHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83650538
_cell_length_b   6.83650538
_cell_length_c   5.21593000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.86809594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHg3
_chemical_formula_sum   'Ca2 Hg6'
_cell_volume   204.75717506
_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  0.66691100  0.33308900  0.25000000  1.0
  Ca  Ca1  1  0.33308900  0.66691100  0.75000000  1.0
  Hg  Hg2  1  0.67236400  0.83534200  0.25000000  1.0
  Hg  Hg3  1  0.16566800  0.83433200  0.25000000  1.0
  Hg  Hg4  1  0.16465800  0.32763600  0.25000000  1.0
  Hg  Hg5  1  0.32763600  0.16465800  0.75000000  1.0
  Hg  Hg6  1  0.83433200  0.16566800  0.75000000  1.0
  Hg  Hg7  1  0.83534200  0.67236400  0.75000000  1.0