# generated using pymatgen
data_Tm3ThMgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68301965
_cell_length_b   9.68302004
_cell_length_c   9.68301932
_cell_angle_alpha   59.99999911
_cell_angle_beta   59.99999776
_cell_angle_gamma   59.99999595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3ThMgIr
_chemical_formula_sum   'Tm12 Th4 Mg4 Ir4'
_cell_volume   641.97397251
_cell_formula_units_Z   4
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  0.06312918  0.43687082  0.43687082  1.0
  Tm  Tm1  1  0.43687082  0.06312918  0.06312918  1.0
  Tm  Tm2  1  0.43687082  0.06312918  0.43687082  1.0
  Tm  Tm3  1  0.06312918  0.43687082  0.06312918  1.0
  Tm  Tm4  1  0.43687082  0.43687082  0.06312918  1.0
  Tm  Tm5  1  0.06312918  0.06312918  0.43687082  1.0
  Tm  Tm6  1  0.18372469  0.81627531  0.81627531  1.0
  Tm  Tm7  1  0.81627531  0.18372469  0.18372469  1.0
  Tm  Tm8  1  0.81627531  0.18372469  0.81627531  1.0
  Tm  Tm9  1  0.18372469  0.81627531  0.18372469  1.0
  Tm  Tm10  1  0.81627531  0.81627531  0.18372469  1.0
  Tm  Tm11  1  0.18372469  0.18372469  0.81627531  1.0
  Th  Th12  1  0.59879862  0.59879862  0.59879862  1.0
  Th  Th13  1  0.59879862  0.59879862  0.20360315  1.0
  Th  Th14  1  0.59879862  0.20360315  0.59879862  1.0
  Th  Th15  1  0.20360315  0.59879862  0.59879862  1.0
  Mg  Mg16  1  0.83136746  0.83136746  0.83136746  1.0
  Mg  Mg17  1  0.83136746  0.83136746  0.50589662  1.0
  Mg  Mg18  1  0.83136746  0.50589662  0.83136746  1.0
  Mg  Mg19  1  0.50589662  0.83136746  0.83136746  1.0
  Ir  Ir20  1  0.39206310  0.39206310  0.39206310  1.0
  Ir  Ir21  1  0.39206310  0.39206310  0.82380971  1.0
  Ir  Ir22  1  0.39206310  0.82380971  0.39206310  1.0
  Ir  Ir23  1  0.82380971  0.39206310  0.39206310  1.0