data_[Nd2Y2Tm4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.1695]
_cell_length_b [9.9419]
_cell_length_c [6.7835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NdY(TmTl)2]
_chemical_formula_sum '[Nd2 Y2 Tm4 Tl4]'
_cell_volume [348.6362]
_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  0.0000  0.4605  0.9594  1.0
  Y  Y1  2  0.5000  0.3073  0.6827  1.0
  Tm  Tm2  2  0.0000  0.1814  0.3348  1.0
  Tm  Tm3  2  0.5000  0.0426  0.0505  1.0
  Tl  Tl4  2  0.0000  0.1308  0.7984  1.0
  Tl  Tl5  2  0.5000  0.3575  0.2197  1.0
]