data_[Pm2Y4Sc6]
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 [P2_1/m]
_cell_length_a [5.9955]
_cell_length_b [3.4649]
_cell_length_c [16.6731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PmY2Sc3]
_chemical_formula_sum '[Pm2 Y4 Sc6]'
_cell_volume [343.8665]
_cell_formula_units_Z [2]
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  2  0.4723  0.2500  0.1675  1
  Y  Y1  2  0.0273  0.2500  0.8333  1
  Y  Y2  2  0.2498  0.2500  0.4996  1
  Sc  Sc3  2  0.1388  0.7500  0.6663  1
  Sc  Sc4  2  0.2494  0.7500  0.9999  1
  Sc  Sc5  2  0.3613  0.7500  0.3340  1
]