# generated using pymatgen
data_TmSnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49411884
_cell_length_b   7.49411884
_cell_length_c   3.78116764
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmSnIr
_chemical_formula_sum   'Tm3 Sn3 Ir3'
_cell_volume   183.90675766
_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  0.00000000  0.40341959  0.50000000  1.0
  Tm  Tm1  1  0.59658041  0.59658041  0.50000000  1.0
  Tm  Tm2  1  0.40341959  0.00000000  0.50000000  1.0
  Sn  Sn3  1  -0.00000000  0.73494205  -0.00000000  1.0
  Sn  Sn4  1  0.26505795  0.26505795  0.00000000  1.0
  Sn  Sn5  1  0.73494205  -0.00000000  -0.00000000  1.0
  Ir  Ir6  1  0.33333300  0.66666700  -0.00000000  1.0
  Ir  Ir7  1  0.66666700  0.33333300  -0.00000000  1.0
  Ir  Ir8  1  -0.00000000  0.00000000  0.50000000  1.0