# generated using pymatgen
data_Tm16CdHg3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41999026
_cell_length_b   9.41184084
_cell_length_c   9.41184177
_cell_angle_alpha   60.00000020
_cell_angle_beta   60.02861402
_cell_angle_gamma   60.02860834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm16CdHg3Ir4
_chemical_formula_sum   'Tm16 Cd1 Hg3 Ir4'
_cell_volume   590.29937992
_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  0.60104202  0.59975175  0.59975175  1.0
  Tm  Tm1  1  0.60104202  0.59975175  0.19945648  1.0
  Tm  Tm2  1  0.60104202  0.19945648  0.59975175  1.0
  Tm  Tm3  1  0.19398111  0.60200696  0.60200696  1.0
  Tm  Tm4  1  0.05789673  0.44203654  0.44203654  1.0
  Tm  Tm5  1  0.44068539  0.05928434  0.05928434  1.0
  Tm  Tm6  1  0.44068539  0.05928434  0.44074693  1.0
  Tm  Tm7  1  0.05789673  0.44203654  0.05803020  1.0
  Tm  Tm8  1  0.44068539  0.44074693  0.05928434  1.0
  Tm  Tm9  1  0.05789673  0.05803020  0.44203654  1.0
  Tm  Tm10  1  0.18736027  0.81146564  0.81146564  1.0
  Tm  Tm11  1  0.81120373  0.18833268  0.18833268  1.0
  Tm  Tm12  1  0.81120373  0.18833268  0.81213190  1.0
  Tm  Tm13  1  0.18736027  0.81146564  0.18970846  1.0
  Tm  Tm14  1  0.81120373  0.81213190  0.18833268  1.0
  Tm  Tm15  1  0.18736027  0.18970846  0.81146564  1.0
  Cd  Cd16  1  0.51266640  0.82911120  0.82911120  1.0
  Hg  Hg17  1  0.83388474  0.83589965  0.83589965  1.0
  Hg  Hg18  1  0.83388474  0.83589965  0.49431495  1.0
  Hg  Hg19  1  0.83388474  0.49431495  0.83589965  1.0
  Ir  Ir20  1  0.39045183  0.39240553  0.39240553  1.0
  Ir  Ir21  1  0.39045183  0.39240553  0.82473510  1.0
  Ir  Ir22  1  0.39045183  0.82473510  0.39240553  1.0
  Ir  Ir23  1  0.82578134  0.39140555  0.39140555  1.0