data_[Pr7Sm1Tm3]
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 [P3m1]
_cell_length_a [7.2538]
_cell_length_b [7.2538]
_cell_length_c [8.6949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pr7SmTm3]
_chemical_formula_sum '[Pr7 Sm1 Tm3]'
_cell_volume [396.2144]
_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  0.1667  0.3334  0.1045  1
  Pr  Pr1  3  0.3327  0.1664  0.4622  1
  Pr  Pr2  1  0.6667  0.3333  0.1262  1
  Sm  Sm3  1  0.3333  0.6667  0.4418  1
  Tm  Tm4  3  0.0011  0.5005  0.7823  1
]