data_[Pm12Nd4Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6871]
_cell_length_b [9.9390]
_cell_length_c [9.3383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pm3NdSi]
_chemical_formula_sum '[Pm12 Nd4 Si4]'
_cell_volume [620.6484]
_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  8  0.1232  0.5572  0.8162  1
  Pm  Pm1  4  0.2442  0.7500  0.5067  1
  Nd  Nd2  4  0.2405  0.2500  0.6276  1
  Si  Si3  4  0.0000  0.0000  0.5000  1
]