data_[Pr10Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1839]
_cell_length_b [4.4706]
_cell_length_c [10.0555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5Si4]
_chemical_formula_sum '[Pr10 Si8]'
_cell_volume [466.2209]
_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
[
  Pr  Pr0  4  0.1051  0.0000  0.3925  1.0
  Pr  Pr1  4  0.2474  0.0000  0.8324  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Si  Si3  4  0.0479  0.5000  0.8220  1.0
  Si  Si4  4  0.1083  0.5000  0.6078  1.0
]