# generated using pymatgen
data_Sc10ReHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90896618
_cell_length_b   8.90896613
_cell_length_c   9.17376688
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc10ReHg3
_chemical_formula_sum   'Sc20 Re2 Hg6'
_cell_volume   630.56950672
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc2  1  0.20971768  0.79028232  0.44345907  1.0
  Sc  Sc3  1  0.20971768  0.41943737  0.44345907  1.0
  Sc  Sc4  1  0.58056263  0.79028232  0.44345907  1.0
  Sc  Sc5  1  0.79028232  0.20971768  0.55654093  1.0
  Sc  Sc6  1  0.79028232  0.58056263  0.55654093  1.0
  Sc  Sc7  1  0.41943737  0.20971768  0.55654093  1.0
  Sc  Sc8  1  0.79028232  0.20971768  0.94345907  1.0
  Sc  Sc9  1  0.79028232  0.58056263  0.94345907  1.0
  Sc  Sc10  1  0.41943737  0.20971768  0.94345907  1.0
  Sc  Sc11  1  0.20971768  0.79028232  0.05654093  1.0
  Sc  Sc12  1  0.20971768  0.41943737  0.05654093  1.0
  Sc  Sc13  1  0.58056263  0.79028232  0.05654093  1.0
  Sc  Sc14  1  0.53722320  0.46277680  0.25000000  1.0
  Sc  Sc15  1  0.53722320  0.07444640  0.25000000  1.0
  Sc  Sc16  1  0.92555360  0.46277680  0.25000000  1.0
  Sc  Sc17  1  0.46277680  0.53722320  0.75000000  1.0
  Sc  Sc18  1  0.46277680  0.92555360  0.75000000  1.0
  Sc  Sc19  1  0.07444640  0.53722320  0.75000000  1.0
  Re  Re20  1  0.33333300  0.66666700  0.25000000  1.0
  Re  Re21  1  0.66666700  0.33333300  0.75000000  1.0
  Hg  Hg22  1  0.88302735  0.11697265  0.25000000  1.0
  Hg  Hg23  1  0.88302735  0.76605470  0.25000000  1.0
  Hg  Hg24  1  0.23394530  0.11697265  0.25000000  1.0
  Hg  Hg25  1  0.11697265  0.88302735  0.75000000  1.0
  Hg  Hg26  1  0.11697265  0.23394530  0.75000000  1.0
  Hg  Hg27  1  0.76605470  0.88302735  0.75000000  1.0