data_[Pr2Sm4Er3]
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 [P3m1]
_cell_length_a [3.6162]
_cell_length_b [3.6162]
_cell_length_c [26.8759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pr2Sm4Er3]
_chemical_formula_sum '[Pr2 Sm4 Er3]'
_cell_volume [304.3657]
_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  1  0.0000  0.0000  0.1283  1.0
  Pr  Pr1  1  0.0000  0.0000  0.9124  1.0
  Sm  Sm2  1  0.0000  0.0000  0.5663  1.0
  Sm  Sm3  1  0.0000  0.0000  0.7775  1.0
  Sm  Sm4  1  0.3333  0.6667  0.2422  1.0
  Sm  Sm5  1  0.3333  0.6667  0.4555  1.0
  Er  Er6  1  0.0000  0.0000  0.3486  1.0
  Er  Er7  1  0.3333  0.6667  0.0180  1.0
  Er  Er8  1  0.3333  0.6667  0.6739  1.0
]