# generated using pymatgen
data_Er3ScHg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07103556
_cell_length_b   8.07103501
_cell_length_c   8.07103475
_cell_angle_alpha   66.43497151
_cell_angle_beta   66.43496173
_cell_angle_gamma   66.43495899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3ScHg5
_chemical_formula_sum   'Er6 Sc2 Hg10'
_cell_volume   423.32764586
_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
  Er  Er0  1  0.88950273  0.19001275  0.61488695  1.0
  Er  Er1  1  0.61488695  0.88950273  0.19001275  1.0
  Er  Er2  1  0.19001275  0.61488695  0.88950273  1.0
  Er  Er3  1  0.11049727  0.80998725  0.38511305  1.0
  Er  Er4  1  0.38511305  0.11049727  0.80998725  1.0
  Er  Er5  1  0.80998725  0.38511305  0.11049727  1.0
  Sc  Sc6  1  0.66020574  0.66020574  0.66020574  1.0
  Sc  Sc7  1  0.33979426  0.33979426  0.33979426  1.0
  Hg  Hg8  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg9  1  0.50000000  0.50000000  0.50000000  1.0
  Hg  Hg10  1  0.81219908  0.81219908  0.81219908  1.0
  Hg  Hg11  1  0.18780092  0.18780092  0.18780092  1.0
  Hg  Hg12  1  0.94207218  0.56101487  0.31144676  1.0
  Hg  Hg13  1  0.31144676  0.94207218  0.56101487  1.0
  Hg  Hg14  1  0.56101487  0.31144676  0.94207218  1.0
  Hg  Hg15  1  0.05792782  0.43898513  0.68855324  1.0
  Hg  Hg16  1  0.68855324  0.05792782  0.43898513  1.0
  Hg  Hg17  1  0.43898513  0.68855324  0.05792782  1.0