# generated using pymatgen
data_Tm3Hg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11803220
_cell_length_b   8.11803203
_cell_length_c   8.11803146
_cell_angle_alpha   113.66920554
_cell_angle_beta   113.66921042
_cell_angle_gamma   113.66920235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Hg4
_chemical_formula_sum   'Tm6 Hg8'
_cell_volume   332.86075365
_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
  Tm  Tm0  1  0.38621865  0.98992429  0.25497263  1.0
  Tm  Tm1  1  0.98992429  0.25497263  0.38621865  1.0
  Tm  Tm2  1  0.25497263  0.38621865  0.98992429  1.0
  Tm  Tm3  1  0.61378135  0.01007571  0.74502737  1.0
  Tm  Tm4  1  0.01007571  0.74502737  0.61378135  1.0
  Tm  Tm5  1  0.74502737  0.61378135  0.01007571  1.0
  Hg  Hg6  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg7  1  0.50000000  0.50000000  0.50000000  1.0
  Hg  Hg8  1  0.25256988  0.09929582  0.56652962  1.0
  Hg  Hg9  1  0.09929582  0.56652962  0.25256988  1.0
  Hg  Hg10  1  0.56652962  0.25256988  0.09929582  1.0
  Hg  Hg11  1  0.74743012  0.90070418  0.43347038  1.0
  Hg  Hg12  1  0.90070418  0.43347038  0.74743012  1.0
  Hg  Hg13  1  0.43347038  0.74743012  0.90070418  1.0