data_[Pr8Sm2Tm6]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.7604]
_cell_length_b [7.3098]
_cell_length_c [6.3172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4SmTm3]
_chemical_formula_sum '[Pr8 Sm2 Tm6]'
_cell_volume [543.0679]
_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  4  0.2451  0.8728  0.4836  1.0
  Pr  Pr1  2  0.0000  0.1306  0.6532  1.0
  Pr  Pr2  2  0.0000  0.8691  0.1376  1.0
  Sm  Sm3  2  0.0000  0.3767  0.1539  1.0
  Tm  Tm4  4  0.2498  0.3828  0.4779  1.0
  Tm  Tm5  2  0.0000  0.6172  0.6477  1.0
]