data_[Pm4Nd4Sc12]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3321]
_cell_length_b [4.8807]
_cell_length_c [6.7809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmNdSc3]
_chemical_formula_sum '[Pm4 Nd4 Sc12]'
_cell_volume [565.4741]
_cell_formula_units_Z [4]
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  0.1001  0.5000  0.5429  1
  Nd  Nd1  4  0.1995  0.0000  0.8473  1
  Sc  Sc2  4  0.0026  0.0000  0.2436  1
  Sc  Sc3  4  0.0940  0.5000  0.0433  1
  Sc  Sc4  4  0.1969  0.0000  0.3438  1
]