data_[Pr3Sm3Tl2In1]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.3046]
_cell_length_b [9.3046]
_cell_length_c [3.7539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Pr3Sm3Tl2In]
_chemical_formula_sum '[Pr3 Sm3 Tl2 In1]'
_cell_volume [281.4517]
_cell_formula_units_Z [1]
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  3  0.0000  0.2846  0.5000  1.0
  Sm  Sm1  3  0.0000  0.6146  0.0000  1.0
  Tl  Tl2  2  0.3333  0.6667  0.5000  1.0
  In  In3  1  0.0000  0.0000  0.0000  1.0
]