# generated using pymatgen
data_Tm3Mg3Hg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82458751
_cell_length_b   7.82458840
_cell_length_c   3.81098869
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999217
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Mg3Hg2Ir
_chemical_formula_sum   'Tm3 Mg3 Hg2 Ir1'
_cell_volume   202.06508581
_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  0.60924539  0.03841123  0.00000000  1.0
  Tm  Tm1  1  0.96158877  0.57083416  0.00000000  1.0
  Tm  Tm2  1  0.42916584  0.39075461  0.00000000  1.0
  Mg  Mg3  1  0.26212052  0.99592867  0.50000000  1.0
  Mg  Mg4  1  0.00407133  0.26619085  0.50000000  1.0
  Mg  Mg5  1  0.73380915  0.73787948  0.50000000  1.0
  Hg  Hg6  1  0.33333300  0.66666700  0.50000000  1.0
  Hg  Hg7  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir8  1  0.66666700  0.33333300  0.50000000  1.0