data_[Nd2Tm4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4004]
_cell_length_b [4.4561]
_cell_length_c [10.5790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(TmIr)2]
_chemical_formula_sum '[Nd2 Tm4 Ir4]'
_cell_volume [251.0023]
_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
[
  Nd  Nd0  2  0.4168  0.7500  0.2168  1.0
  Tm  Tm1  2  0.1033  0.7500  0.8868  1.0
  Tm  Tm2  2  0.2479  0.7500  0.5251  1.0
  Ir  Ir3  2  0.2192  0.2500  0.3639  1.0
  Ir  Ir4  2  0.3471  0.2500  0.0239  1.0
]