data_[Pm3Ho36Er21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [18.4715]
_cell_length_b [18.4715]
_cell_length_c [6.6390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PmHo12Er7]
_chemical_formula_sum '[Pm3 Ho36 Er21]'
_cell_volume [1961.7022]
_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
  Ho  Ho1  18  0.0005  0.7873  0.7878  1
  Ho  Ho2  18  0.0075  0.4726  0.2381  1
  Er  Er3  18  0.0104  0.8520  0.2880  1
  Er  Er4  3  0.0000  0.0000  0.5000  1
]