# generated using pymatgen
data_Ca8InSn3Hg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67160080
_cell_length_b   5.37747532
_cell_length_c   10.78095033
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99797171
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8InSn3Hg4
_chemical_formula_sum   'Ca8 In1 Sn3 Hg4'
_cell_volume   444.75564199
_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  0.00312912  0.74999900  0.12527692  1.0
  Ca  Ca1  1  0.49687313  0.74999900  0.12519588  1.0
  Ca  Ca2  1  0.99929343  0.24999900  0.37656954  1.0
  Ca  Ca3  1  0.50077072  0.24999900  0.37652778  1.0
  Ca  Ca4  1  0.50360484  0.74999900  0.62526811  1.0
  Ca  Ca5  1  0.99638086  0.74999900  0.62519136  1.0
  Ca  Ca6  1  0.50076885  0.24999900  0.87302823  1.0
  Ca  Ca7  1  0.99919365  0.24999900  0.87300272  1.0
  In  In8  1  0.75001546  0.24999900  0.12459150  1.0
  Sn  Sn9  1  0.25008965  0.74999900  0.37691818  1.0
  Sn  Sn10  1  0.74992763  0.24999900  0.62466165  1.0
  Sn  Sn11  1  0.24987444  0.74999900  0.87362948  1.0
  Hg  Hg12  1  0.25000331  0.24999900  0.12458057  1.0
  Hg  Hg13  1  0.74998213  0.74999900  0.36205957  1.0
  Hg  Hg14  1  0.25003865  0.24999900  0.62470382  1.0
  Hg  Hg15  1  0.75005714  0.74999900  0.88879368  1.0