# generated using pymatgen
data_Li4Ca5Hg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95880131
_cell_length_b   8.95880041
_cell_length_c   8.95880072
_cell_angle_alpha   93.58080748
_cell_angle_beta   93.58080833
_cell_angle_gamma   151.05533243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ca5Hg4
_chemical_formula_sum   'Li4 Ca5 Hg4'
_cell_volume   336.94511012
_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
  Li  Li0  1  0.60054766  0.07167049  0.67221814  1.0
  Li  Li1  1  0.92832951  0.60054766  0.52887717  1.0
  Li  Li2  1  0.07167049  0.39945234  0.47112283  1.0
  Li  Li3  1  0.39945234  0.92832951  0.32778186  1.0
  Ca  Ca4  1  0.13039133  0.79247745  0.92286878  1.0
  Ca  Ca5  1  0.20752255  0.13039133  0.33791387  1.0
  Ca  Ca6  1  0.86960867  0.20752255  0.07713122  1.0
  Ca  Ca7  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca8  1  0.79247745  0.86960867  0.66208613  1.0
  Hg  Hg9  1  0.44398632  0.24306525  0.68705257  1.0
  Hg  Hg10  1  0.55601368  0.75693475  0.31294743  1.0
  Hg  Hg11  1  0.24306525  0.55601368  0.79907892  1.0
  Hg  Hg12  1  0.75693475  0.44398632  0.20092108  1.0