data_[Pr2Si4W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1737]
_cell_length_b [4.2630]
_cell_length_c [11.1643]
_cell_angle_alpha [98.9452]
_cell_angle_beta [98.9785]
_cell_angle_gamma [93.7527]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr(SiW)2]
_chemical_formula_sum '[Pr2 Si4 W4]'
_cell_volume [192.9986]
_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  2  0.1771  0.9311  0.8383  1
  Si  Si1  2  0.2691  0.5218  0.0531  1
  Si  Si2  2  0.3748  0.6180  0.2773  1
  W  W3  2  0.0669  0.3193  0.5797  1
  W  W4  2  0.4196  0.1776  0.4171  1
]