# generated using pymatgen
data_TmTh(MgIr4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28725858
_cell_length_b   5.28725771
_cell_length_c   8.59279089
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmTh(MgIr4)2
_chemical_formula_sum   'Tm1 Th1 Mg2 Ir8'
_cell_volume   208.02997063
_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  0.66666700  0.33333300  0.56799484  1.0
  Th  Th1  1  0.33333300  0.66666700  0.07165717  1.0
  Mg  Mg2  1  0.66666700  0.33333300  0.92616275  1.0
  Mg  Mg3  1  0.33333300  0.66666700  0.44857387  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.99396386  1.0
  Ir  Ir5  1  0.00000000  0.00000000  0.49583115  1.0
  Ir  Ir6  1  0.82927267  0.65854434  0.25225517  1.0
  Ir  Ir7  1  0.17002792  0.82997208  0.74635062  1.0
  Ir  Ir8  1  0.65994515  0.82997208  0.74635062  1.0
  Ir  Ir9  1  0.34145566  0.17072733  0.25225517  1.0
  Ir  Ir10  1  0.82927267  0.17072733  0.25225517  1.0
  Ir  Ir11  1  0.17002792  0.34005485  0.74635062  1.0