data_[Nd8Sm4Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7770]
_cell_length_b [29.4478]
_cell_length_c [6.8138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd2SmTl3]
_chemical_formula_sum '[Nd8 Sm4 Tl12]'
_cell_volume [757.8575]
_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  0.0000  0.0062  0.7500  1
  Nd  Nd1  4  0.0000  0.1520  0.2500  1
  Sm  Sm2  4  0.0000  0.3313  0.2500  1
  Tl  Tl3  8  0.0000  0.4231  0.5107  1
  Tl  Tl4  4  0.0000  0.2564  0.7500  1
]