data_[Nd12Sm4Tl4]
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 [C2/m]
_cell_length_a [12.4093]
_cell_length_b [5.6945]
_cell_length_c [10.0147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3SmTl]
_chemical_formula_sum '[Nd12 Sm4 Tl4]'
_cell_volume [669.8135]
_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  0.1374  0.0000  0.6045  1.0
  Nd  Nd1  4  0.1546  0.5000  0.0307  1.0
  Nd  Nd2  4  0.2133  0.0000  0.2775  1.0
  Sm  Sm3  4  0.0477  0.5000  0.3529  1.0
  Tl  Tl4  4  0.0569  0.0000  0.8800  1.0
]