# generated using pymatgen
data_Tm16MgHg3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.46651999
_cell_length_b   9.41114902
_cell_length_c   9.41114854
_cell_angle_alpha   59.99999824
_cell_angle_beta   60.19329823
_cell_angle_gamma   60.19330056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm16MgHg3Ir4
_chemical_formula_sum   'Tm16 Mg1 Hg3 Ir4'
_cell_volume   594.59788173
_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  0.59980008  0.59696188  0.59696188  1.0
  Tm  Tm1  1  0.59980008  0.59696188  0.20627717  1.0
  Tm  Tm2  1  0.59980008  0.20627717  0.59696188  1.0
  Tm  Tm3  1  0.18630131  0.60456623  0.60456623  1.0
  Tm  Tm4  1  0.05667037  0.44279308  0.44279308  1.0
  Tm  Tm5  1  0.43914984  0.06138261  0.06138261  1.0
  Tm  Tm6  1  0.43914984  0.06138261  0.43808694  1.0
  Tm  Tm7  1  0.05667037  0.44279308  0.05774147  1.0
  Tm  Tm8  1  0.43914984  0.43808694  0.06138261  1.0
  Tm  Tm9  1  0.05667037  0.05774147  0.44279308  1.0
  Tm  Tm10  1  0.18736889  0.81099803  0.81099803  1.0
  Tm  Tm11  1  0.81223645  0.18717645  0.18717645  1.0
  Tm  Tm12  1  0.81223645  0.18717645  0.81340966  1.0
  Tm  Tm13  1  0.18736889  0.81099803  0.19063404  1.0
  Tm  Tm14  1  0.81223645  0.81340966  0.18717645  1.0
  Tm  Tm15  1  0.18736889  0.19063404  0.81099803  1.0
  Mg  Mg16  1  0.54371857  0.81876081  0.81876081  1.0
  Hg  Hg17  1  0.83345532  0.83774277  0.83774277  1.0
  Hg  Hg18  1  0.83345532  0.83774277  0.49105813  1.0
  Hg  Hg19  1  0.83345532  0.49105813  0.83774277  1.0
  Ir  Ir20  1  0.38545751  0.39479961  0.39479961  1.0
  Ir  Ir21  1  0.38545751  0.39479961  0.82494228  1.0
  Ir  Ir22  1  0.38545751  0.82494228  0.39479961  1.0
  Ir  Ir23  1  0.82755973  0.39081342  0.39081342  1.0