data_[Li4Tm16Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [9.8937]
_cell_length_b [9.8937]
_cell_length_c [7.2390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [LiTm4Ir]
_chemical_formula_sum '[Li4 Tm16 Ir4]'
_cell_volume [708.5899]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.0000  0.1865  1
  Tm  Tm1  8  0.0000  0.1906  0.5131  1
  Tm  Tm2  8  0.0000  0.2355  0.0004  1
  Ir  Ir3  4  0.0000  0.0000  0.7865  1
]