data_[Pr6Sm8Tm2]
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 [11.8351]
_cell_length_b [6.3154]
_cell_length_c [7.3319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Sm4Tm]
_chemical_formula_sum '[Pr6 Sm8 Tm2]'
_cell_volume [548.0153]
_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  0.2490  0.4985  0.8103  1.0
  Pr  Pr1  2  0.0000  0.1667  0.3100  1.0
  Sm  Sm2  4  0.2488  0.9980  0.0608  1.0
  Sm  Sm3  2  0.0000  0.1660  0.8120  1.0
  Sm  Sm4  2  0.0000  0.6659  0.5609  1.0
  Tm  Tm5  2  0.0000  0.6651  0.0597  1.0
]