# generated using pymatgen
data_ErTh3(Ni2Hg)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50149121
_cell_length_b   7.50149221
_cell_length_c   3.67009628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.37685644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTh3(Ni2Hg)2
_chemical_formula_sum   'Er1 Th3 Ni4 Hg2'
_cell_volume   206.46541644
_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
  Er  Er0  1  0.82595950  0.67404050  0.50000000  1.0
  Th  Th1  1  0.67587733  0.17367176  0.50000000  1.0
  Th  Th2  1  0.32632824  0.82412267  0.50000000  1.0
  Th  Th3  1  0.17220343  0.32779657  0.50000000  1.0
  Ni  Ni4  1  0.87975650  0.37641977  0.00000000  1.0
  Ni  Ni5  1  0.12358023  0.62024350  0.00000000  1.0
  Ni  Ni6  1  0.37498781  0.12501219  0.00000000  1.0
  Ni  Ni7  1  0.61629636  0.88370364  0.00000000  1.0
  Hg  Hg8  1  0.51183526  0.50682364  0.00000000  1.0
  Hg  Hg9  1  0.99317636  0.98816474  0.00000000  1.0