data_[Pr8Sm6Er2]
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 [Pmn2_1]
_cell_length_a [11.9823]
_cell_length_b [7.3164]
_cell_length_c [6.3705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4Sm3Er]
_chemical_formula_sum '[Pr8 Sm6 Er2]'
_cell_volume [558.4888]
_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  0.2477  0.8713  0.0174  1.0
  Pr  Pr1  2  0.0000  0.1270  0.8493  1.0
  Pr  Pr2  2  0.0000  0.8725  0.3560  1.0
  Sm  Sm3  4  0.2498  0.3784  0.0217  1.0
  Sm  Sm4  2  0.0000  0.3768  0.3492  1.0
  Er  Er5  2  0.0000  0.6208  0.8521  1.0
]