# generated using pymatgen
data_TmIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29750802
_cell_length_b   5.29750868
_cell_length_c   5.29750777
_cell_angle_alpha   59.99999294
_cell_angle_beta   59.99998879
_cell_angle_gamma   60.00000025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmIr2
_chemical_formula_sum   'Tm2 Ir4'
_cell_volume   105.12350799
_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  0.12500000  0.12500000  0.12500000  1.0
  Tm  Tm1  1  0.87500000  0.87500000  0.87500000  1.0
  Ir  Ir2  1  -0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir3  1  0.50000000  -0.00000000  0.50000000  1.0
  Ir  Ir4  1  0.50000000  0.50000000  -0.00000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.50000000  1.0