data_[Pm2Th4Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5794]
_cell_length_b [6.7542]
_cell_length_c [16.3263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pm(ThSc4)2]
_chemical_formula_sum '[Pm2 Th4 Sc16]'
_cell_volume [615.2463]
_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  0.0000  0.5000  0.5000  1
  Th  Th1  4  0.0000  0.0000  0.3090  1
  Sc  Sc2  8  0.0000  0.2330  0.1309  1
  Sc  Sc3  4  0.0000  0.5000  0.3002  1
  Sc  Sc4  4  0.2451  0.0000  0.5000  1
]