data_[Pm3Sm21Er36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.8175]
_cell_length_b [12.8175]
_cell_length_c [13.6304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PmSm7Er12]
_chemical_formula_sum '[Pm3 Sm21 Er36]'
_cell_volume [1939.3099]
_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
[
  Pm  Pm0  3  0.0000  0.0000  0.0000  1
  Sm  Sm1  18  0.0679  0.8663  0.8462  1
  Sm  Sm2  3  0.0000  0.0000  0.5000  1
  Er  Er3  18  0.0023  0.4351  0.2498  1
  Er  Er4  18  0.0674  0.2018  0.3501  1
]