data_[Pr2Sm4Y2Tl4]
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
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.2170]
_cell_length_b [10.2395]
_cell_length_c [6.8791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PrSm2YTl2]
_chemical_formula_sum '[Pr2 Sm4 Y2 Tl4]'
_cell_volume [367.4771]
_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
[
  Pr  Pr0  2  0.0000  0.4591  0.9589  1.0
  Sm  Sm1  2  0.0000  0.1817  0.3311  1.0
  Sm  Sm2  2  0.5000  0.0436  0.0515  1.0
  Y  Y3  2  0.5000  0.3107  0.6827  1.0
  Tl  Tl4  2  0.0000  0.1385  0.7976  1.0
  Tl  Tl5  2  0.5000  0.3665  0.2239  1.0
]