data_[Pr3Sm4Er2]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2746]
_cell_length_b [6.2848]
_cell_length_c [9.6039]
_cell_angle_alpha [108.8542]
_cell_angle_beta [90.2110]
_cell_angle_gamma [119.9213]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr3(Sm2Er)2]
_chemical_formula_sum '[Pr3 Sm4 Er2]'
_cell_volume [304.2918]
_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  2  0.1123  0.5567  0.3346  1
  Pr  Pr1  1  0.0000  0.0000  0.0000  1
  Sm  Sm2  2  0.2234  0.1128  0.6661  1
  Sm  Sm3  2  0.3353  0.6692  0.0001  1
  Er  Er4  2  0.4453  0.2240  0.3347  1
]