data_[Pr4Sm4Tm16]
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 [C2/c]
_cell_length_a [8.8082]
_cell_length_b [14.6231]
_cell_length_c [6.4235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrSmTm4]
_chemical_formula_sum '[Pr4 Sm4 Tm16]'
_cell_volume [781.8728]
_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  0.4158  0.7500  1
  Sm  Sm1  4  0.0000  0.0031  0.2500  1
  Tm  Tm2  8  0.0932  0.1948  0.0308  1
  Tm  Tm3  8  0.2049  0.3649  0.3807  1
]