data_[Pm6Nd2Y12Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1525]
_cell_length_b [10.6534]
_cell_length_c [11.7546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3Nd(Y3Sc)2]
_chemical_formula_sum '[Pm6 Nd2 Y12 Sc4]'
_cell_volume [758.7139]
_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  4  0.0000  0.1671  0.5000  1
  Pm  Pm1  2  0.0000  0.5000  0.5000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Y  Y3  8  0.2500  0.3319  0.7561  1
  Y  Y4  4  0.2453  0.5000  0.2439  1
  Sc  Sc5  4  0.0000  0.3332  0.0000  1
]