data_[Pm6Y45Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.2075]
_cell_length_b [11.2075]
_cell_length_c [17.5575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm2Y15Sc2]
_chemical_formula_sum '[Pm6 Y45 Sc6]'
_cell_volume [1909.8950]
_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  6  0.0000  0.0000  0.3216  1
  Y  Y1  18  0.0000  0.2935  0.0000  1
  Y  Y2  18  0.0084  0.5042  0.1377  1
  Y  Y3  9  0.0000  0.5000  0.5000  1
  Sc  Sc4  6  0.0000  0.0000  0.0906  1
]