data_[Pr6Sm12Er3]
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 [R-3m]
_cell_length_a [3.6275]
_cell_length_b [3.6275]
_cell_length_c [62.3574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Sm4Er]
_chemical_formula_sum '[Pr6 Sm12 Er3]'
_cell_volume [710.6047]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4280  1.0
  Sm  Sm1  6  0.0000  0.0000  0.1431  1.0
  Sm  Sm2  6  0.0000  0.0000  0.2873  1.0
  Er  Er3  3  0.0000  0.0000  0.0000  1.0
]