data_[Pr2Sm8Er4]
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 [P1]
_cell_length_a [6.6600]
_cell_length_b [8.5169]
_cell_length_c [8.7266]
_cell_angle_alpha [91.3573]
_cell_angle_beta [99.6314]
_cell_angle_gamma [105.7889]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pr(Sm2Er)2]
_chemical_formula_sum '[Pr2 Sm8 Er4]'
_cell_volume [468.3510]
_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  1  0.0404  0.1055  0.0617  1
  Pr  Pr1  1  0.5460  0.1783  0.9073  1
  Sm  Sm2  1  0.1100  0.8227  0.7603  1
  Sm  Sm3  1  0.2669  0.1575  0.4777  1
  Sm  Sm4  1  0.3516  0.8645  0.2161  1
  Sm  Sm5  1  0.4430  0.4562  0.1894  1
  Sm  Sm6  1  0.5937  0.7468  0.9332  1
  Sm  Sm7  1  0.6222  0.9298  0.6105  1
  Sm  Sm8  1  0.6679  0.5074  0.6158  1
  Sm  Sm9  1  0.9365  0.5210  0.0684  1
  Er  Er10  1  0.1249  0.3673  0.7722  1
  Er  Er11  1  0.1758  0.5684  0.4597  1
  Er  Er12  1  0.7654  0.2173  0.3452  1
  Er  Er13  1  0.8558  0.8073  0.3325  1
]