data_[Tm4Ag2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.9465]
_cell_length_b [3.5069]
_cell_length_c [9.7660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Tm2AgIr]
_chemical_formula_sum '[Tm4 Ag2 Ir2]'
_cell_volume [169.4099]
_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  0.2500  0.0000  0.3540  1
  Tm  Tm1  2  0.2500  0.0000  0.8879  1
  Ag  Ag2  2  0.2500  0.5000  0.6237  1
  Ir  Ir3  2  0.2500  0.5000  0.1251  1
]