data_[Pr12Sm4Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [8.3351]
_cell_length_b [11.0041]
_cell_length_c [9.9473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3SmTl3]
_chemical_formula_sum '[Pr12 Sm4 Tl12]'
_cell_volume [912.1730]
_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
[
  Pr  Pr0  4  0.0000  0.1785  0.5000  1
  Pr  Pr1  4  0.0000  0.2358  0.0000  1
  Pr  Pr2  4  0.0828  0.5000  0.3178  1
  Sm  Sm3  4  0.2189  0.5000  0.9571  1
  Tl  Tl4  8  0.2344  0.2833  0.7369  1
  Tl  Tl5  4  0.0333  0.0000  0.7670  1
]