data_[Pm4Sc16Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8914]
_cell_length_b [12.7491]
_cell_length_c [19.9817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm(Sc2Se3)2]
_chemical_formula_sum '[Pm4 Sc16 Se24]'
_cell_volume [991.3259]
_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  0.0000  0.3467  0.7500  1
  Sc  Sc1  8  0.0000  0.1424  0.0371  1
  Sc  Sc2  8  0.0000  0.4070  0.1235  1
  Se  Se3  8  0.0000  0.0461  0.1600  1
  Se  Se4  8  0.0000  0.2327  0.5890  1
  Se  Se5  4  0.0000  0.3240  0.2500  1
  Se  Se6  4  0.0000  0.5000  0.0000  1
]