data_[Pr2Si2B2]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5990]
_cell_length_b [4.4577]
_cell_length_c [6.3375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [PrSiB]
_chemical_formula_sum '[Pr2 Si2 B2]'
_cell_volume [101.6718]
_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  1  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  1  0.5000  0.0000  0.5000  1.0
  Si  Si2  2  0.5000  0.5000  0.1891  1.0
  B  B3  2  0.0000  0.5000  0.3598  1.0
]