# generated using pymatgen
data_Tm2Th3(Ge5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.01776108
_cell_length_b   13.01776108
_cell_length_c   4.39020080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2Th3(Ge5Ir2)2
_chemical_formula_sum   'Tm4 Th6 Ge20 Ir8'
_cell_volume   743.97266208
_cell_formula_units_Z   2
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  0.32729468  0.82729468  0.50000000  1.0
  Tm  Tm1  1  0.82729468  0.67270532  0.50000000  1.0
  Tm  Tm2  1  0.17270532  0.32729468  0.50000000  1.0
  Tm  Tm3  1  0.67270532  0.17270532  0.50000000  1.0
  Th  Th4  1  0.11428042  0.61428042  0.50000000  1.0
  Th  Th5  1  0.61428042  0.88571958  0.50000000  1.0
  Th  Th6  1  0.38571958  0.11428042  0.50000000  1.0
  Th  Th7  1  0.88571958  0.38571958  0.50000000  1.0
  Th  Th8  1  0.50000000  0.50000000  0.00000000  1.0
  Th  Th9  1  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge10  1  0.33881243  0.49411833  0.50000000  1.0
  Ge  Ge11  1  0.66118757  0.50588167  0.50000000  1.0
  Ge  Ge12  1  0.50588167  0.33881243  0.50000000  1.0
  Ge  Ge13  1  0.49411833  0.66118757  0.50000000  1.0
  Ge  Ge14  1  0.99411833  0.83881243  0.50000000  1.0
  Ge  Ge15  1  0.83881243  0.00588167  0.50000000  1.0
  Ge  Ge16  1  0.16118757  0.99411833  0.50000000  1.0
  Ge  Ge17  1  0.00588167  0.16118757  0.50000000  1.0
  Ge  Ge18  1  0.33321733  0.30138129  0.00000000  1.0
  Ge  Ge19  1  0.66678267  0.69861871  0.00000000  1.0
  Ge  Ge20  1  0.69861871  0.33321733  0.00000000  1.0
  Ge  Ge21  1  0.30138129  0.66678267  0.00000000  1.0
  Ge  Ge22  1  0.80138129  0.83321733  0.00000000  1.0
  Ge  Ge23  1  0.83321733  0.19861871  0.00000000  1.0
  Ge  Ge24  1  0.16678267  0.80138129  0.00000000  1.0
  Ge  Ge25  1  0.19861871  0.16678267  0.00000000  1.0
  Ge  Ge26  1  0.43217203  0.93217203  0.00000000  1.0
  Ge  Ge27  1  0.93217203  0.56782797  0.00000000  1.0
  Ge  Ge28  1  0.56782797  0.06782797  0.00000000  1.0
  Ge  Ge29  1  0.06782797  0.43217203  0.00000000  1.0
  Ir  Ir30  1  0.24537118  0.98107133  0.00000000  1.0
  Ir  Ir31  1  0.75462882  0.01892867  0.00000000  1.0
  Ir  Ir32  1  0.01892867  0.24537118  0.00000000  1.0
  Ir  Ir33  1  0.98107133  0.75462882  0.00000000  1.0
  Ir  Ir34  1  0.48107133  0.74537118  0.00000000  1.0
  Ir  Ir35  1  0.74537118  0.51892867  0.00000000  1.0
  Ir  Ir36  1  0.25462882  0.48107133  0.00000000  1.0
  Ir  Ir37  1  0.51892867  0.25462882  0.00000000  1.0