# generated using pymatgen
data_CaHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70850527
_cell_length_b   6.70850611
_cell_length_c   5.08302688
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHg3
_chemical_formula_sum   'Ca2 Hg6'
_cell_volume   198.10915629
_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  0.33333400  0.66666700  0.74999900  1.0
  Ca  Ca1  1  0.66666700  0.33333400  0.25000000  1.0
  Hg  Hg2  1  0.16244287  0.32488473  0.25000000  1.0
  Hg  Hg3  1  0.67511527  0.83755813  0.25000000  1.0
  Hg  Hg4  1  0.16244387  0.83755813  0.25000000  1.0
  Hg  Hg5  1  0.83755813  0.67511627  0.74999900  1.0
  Hg  Hg6  1  0.32488373  0.16244187  0.74999900  1.0
  Hg  Hg7  1  0.83755613  0.16244187  0.74999900  1.0