data_[Pa1Be2P1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8768]
_cell_length_b [4.8768]
_cell_length_c [6.0293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PaBe2PO8]
_chemical_formula_sum '[Pa1 Be2 P1 O8]'
_cell_volume [124.1844]
_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
[
  Pa  Pa0  1  0.0000  0.0000  0.5000  1
  Be  Be1  2  0.3333  0.6667  0.7577  1
  P  P2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.1538  0.3075  0.8252  1
  O  O4  2  0.3333  0.6667  0.4894  1
]