data_[Pr2Fe2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3748]
_cell_length_b [4.0462]
_cell_length_c [8.1571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrFeSi2]
_chemical_formula_sum '[Pr2 Fe2 Si4]'
_cell_volume [140.3792]
_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  0.1031  0.2500  0.2055  1.0
  Fe  Fe1  2  0.3811  0.2500  0.6080  1.0
  Si  Si2  2  0.1746  0.7500  0.4955  1.0
  Si  Si3  2  0.4544  0.2500  0.9021  1.0
]