data_[Pr4Be2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2244]
_cell_length_b [5.3554]
_cell_length_c [6.8330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2BeO4]
_chemical_formula_sum '[Pr4 Be2 O8]'
_cell_volume [180.8644]
_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  0.2195  0.2500  0.4306  1.0
  Pr  Pr1  2  0.2918  0.2500  0.9614  1.0
  Be  Be2  2  0.2731  0.7500  0.2089  1.0
  O  O3  4  0.4760  0.5131  0.2649  1.0
  O  O4  2  0.0676  0.7500  0.3522  1.0
  O  O5  2  0.1166  0.7500  0.9485  1.0
]