data_[Tm2Zn6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2874]
_cell_length_b [7.3216]
_cell_length_c [6.2514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TmZn3Ir]
_chemical_formula_sum '[Tm2 Zn6 Ir2]'
_cell_volume [196.2338]
_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  0.5000  0.0000  0.8806  1
  Zn  Zn1  4  0.0000  0.1875  0.2464  1
  Zn  Zn2  2  0.5000  0.0000  0.3810  1
  Ir  Ir3  2  0.0000  0.0000  0.6002  1
]