# generated using pymatgen
data_TmTh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03811406
_cell_length_b   5.03783911
_cell_length_c   5.03719029
_cell_angle_alpha   89.97555511
_cell_angle_beta   89.98279057
_cell_angle_gamma   90.01753362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmTh3
_chemical_formula_sum   'Tm1 Th3'
_cell_volume   127.84995138
_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  0.00000148  0.99999877  0.99999767  1.0
  Th  Th1  1  0.99999530  0.50000034  0.49999802  1.0
  Th  Th2  1  0.50000048  0.00000134  0.50000046  1.0
  Th  Th3  1  0.50000374  0.49999954  0.00000285  1.0