# generated using pymatgen
data_CaSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84139939
_cell_length_b   4.84362534
_cell_length_c   7.81095112
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.98480584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnHg
_chemical_formula_sum   'Ca2 Sn2 Hg2'
_cell_volume   158.65087747
_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  0.99976211  0.99952622  0.74984456  1.0
  Ca  Ca1  1  0.00023789  0.00047378  0.24984456  1.0
  Sn  Sn2  1  0.66659842  0.33319884  0.96196942  1.0
  Sn  Sn3  1  0.33340158  0.66680116  0.46196942  1.0
  Hg  Hg4  1  0.66661985  0.33324171  0.56318602  1.0
  Hg  Hg5  1  0.33338015  0.66675829  0.06318602  1.0