data_[Tm4Ge2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7261]
_cell_length_b [4.1274]
_cell_length_c [7.8358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm2GeIr]
_chemical_formula_sum '[Tm4 Ge2 Ir2]'
_cell_volume [173.6006]
_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  2  0.1811  0.2500  0.4098  1.0
  Tm  Tm1  2  0.2674  0.7500  0.0577  1.0
  Ge  Ge2  2  0.3792  0.7500  0.7059  1.0
  Ir  Ir3  2  0.1423  0.2500  0.7871  1.0
]