data_[Nd4Tm12Tl8]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3530]
_cell_length_b [5.3715]
_cell_length_c [9.2508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdTm3Tl2]
_chemical_formula_sum '[Nd4 Tm12 Tl8]'
_cell_volume [707.5527]
_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
[
  Nd  Nd0  4  0.1320  0.0000  0.1713  1.0
  Tm  Tm1  4  0.0603  0.0000  0.7143  1.0
  Tm  Tm2  4  0.1143  0.5000  0.5401  1.0
  Tm  Tm3  4  0.1928  0.5000  0.9864  1.0
  Tl  Tl4  4  0.0179  0.5000  0.1724  1.0
  Tl  Tl5  4  0.2214  0.0000  0.5965  1.0
]