data_[Pm4Ho16Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9781]
_cell_length_b [4.9772]
_cell_length_c [7.8896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2Ho8Sc]
_chemical_formula_sum '[Pm4 Ho16 Sc2]'
_cell_volume [680.9498]
_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  0.2262  0.0000  0.6368  1
  Ho  Ho1  4  0.0442  0.0000  0.7298  1
  Ho  Ho2  4  0.0891  0.5000  0.4493  1
  Ho  Ho3  4  0.1335  0.0000  0.1760  1
  Ho  Ho4  4  0.1800  0.5000  0.9089  1
  Sc  Sc5  2  0.0000  0.5000  0.0000  1
]