data_[Pr2Be1Si3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0264]
_cell_length_b [4.3229]
_cell_length_c [6.8689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr2BeSi3]
_chemical_formula_sum '[Pr2 Be1 Si3]'
_cell_volume [119.5575]
_cell_formula_units_Z [1]
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  0.4983  1.0
  Pr  Pr1  1  0.5000  0.0000  0.9996  1.0
  Be  Be2  1  0.5000  0.5000  0.6721  1.0
  Si  Si3  1  0.0000  0.5000  0.1642  1.0
  Si  Si4  1  0.0000  0.5000  0.8194  1.0
  Si  Si5  1  0.5000  0.5000  0.3464  1.0
]