# generated using pymatgen
data_Tm2Th(AlNi)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96248851
_cell_length_b   7.12826339
_cell_length_c   3.77955222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.79079987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2Th(AlNi)3
_chemical_formula_sum   'Tm2 Th1 Al3 Ni3'
_cell_volume   161.13987853
_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  0.58491340  0.58398162  0.50000000  1.0
  Tm  Tm1  1  0.41508660  0.99906922  0.50000000  1.0
  Th  Th2  1  0.00000000  0.42444006  0.50000000  1.0
  Al  Al3  1  0.00000000  0.77749299  0.00000000  1.0
  Al  Al4  1  0.24536351  0.23377883  0.00000000  1.0
  Al  Al5  1  0.75463649  0.98841532  0.00000000  1.0
  Ni  Ni6  1  0.32601849  0.65769462  0.00000000  1.0
  Ni  Ni7  1  0.67398151  0.33167613  0.00000000  1.0
  Ni  Ni8  1  1.00000000  0.00345122  0.50000000  1.0