# generated using pymatgen
data_TmScHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05734356
_cell_length_b   5.05585231
_cell_length_c   5.04879006
_cell_angle_alpha   60.23236470
_cell_angle_beta   59.97070145
_cell_angle_gamma   59.94264040
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmScHg2
_chemical_formula_sum   'Tm1 Sc1 Hg2'
_cell_volume   91.38190729
_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  0.75003793  0.74999206  0.74986108  1.0
  Sc  Sc1  1  0.24998634  0.25001003  0.25000524  1.0
  Hg  Hg2  1  0.99964051  0.00029813  0.00044824  1.0
  Hg  Hg3  1  0.50033523  0.49969777  0.49968643  1.0