data_[Pm12Sc4Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1771]
_cell_length_b [12.3312]
_cell_length_c [7.4484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3ScSi3]
_chemical_formula_sum '[Pm12 Sc4 Si12]'
_cell_volume [749.2973]
_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  0.1637  0.5000  1
  Pm  Pm1  4  0.0000  0.2290  0.0000  1
  Pm  Pm2  4  0.1162  0.5000  0.3500  1
  Sc  Sc3  4  0.2296  0.0000  0.1114  1
  Si  Si4  8  0.1801  0.3302  0.7026  1
  Si  Si5  4  0.0740  0.0000  0.7905  1
]