data_[Tm4Ga2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7608]
_cell_length_b [4.3284]
_cell_length_c [7.4974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm2GaIr]
_chemical_formula_sum '[Tm4 Ga2 Ir2]'
_cell_volume [173.7182]
_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  0.1774  0.2500  0.4121  1.0
  Tm  Tm1  2  0.2663  0.7500  0.0658  1.0
  Ga  Ga2  2  0.3776  0.7500  0.7085  1.0
  Ir  Ir3  2  0.1449  0.2500  0.7869  1.0
]