# generated using pymatgen
data_Tm5Sc3Hg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90242340
_cell_length_b   6.92342681
_cell_length_c   8.71464126
_cell_angle_alpha   89.78101857
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm5Sc3Hg4
_chemical_formula_sum   'Tm5 Sc3 Hg4'
_cell_volume   295.78644302
_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
  Tm  Tm0  1  0.25000000  0.98994529  0.30346256  1.0
  Tm  Tm1  1  0.75000000  0.01557235  0.69871491  1.0
  Tm  Tm2  1  0.25000000  0.48472950  0.18993645  1.0
  Tm  Tm3  1  0.75000000  0.51384097  0.80717106  1.0
  Tm  Tm4  1  0.75000000  0.67001749  0.42283630  1.0
  Sc  Sc5  1  0.25000000  0.32698408  0.57678773  1.0
  Sc  Sc6  1  0.75000000  0.17093049  0.07639676  1.0
  Sc  Sc7  1  0.25000000  0.83147374  0.92493547  1.0
  Hg  Hg8  1  0.25000000  0.24804857  0.90133299  1.0
  Hg  Hg9  1  0.75000000  0.75513996  0.09251631  1.0
  Hg  Hg10  1  0.25000000  0.74964235  0.60423310  1.0
  Hg  Hg11  1  0.75000000  0.24367621  0.40167635  1.0