# generated using pymatgen
data_TmAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90244015
_cell_length_b   6.90275763
_cell_length_c   3.96640848
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99847860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAlCu
_chemical_formula_sum   'Tm3 Al3 Cu3'
_cell_volume   163.66657792
_cell_formula_units_Z   3
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  0.58536928  0.00000000  0.49999900  1.0
  Tm  Tm1  1  0.99999422  0.58539735  0.49999900  1.0
  Tm  Tm2  1  0.41459487  0.41460065  0.49999900  1.0
  Al  Al3  1  0.23538045  0.00000000  0.00000000  1.0
  Al  Al4  1  0.00000420  0.23540756  0.00000000  1.0
  Al  Al5  1  0.76459664  0.76459444  0.00000000  1.0
  Cu  Cu6  1  0.99997355  -0.00000000  0.49999900  1.0
  Cu  Cu7  1  0.33331244  0.66664309  0.00000000  1.0
  Cu  Cu8  1  0.66667135  0.33335591  -0.00000000  1.0