data_[Pa1Be2Co1O8]
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
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1181]
_cell_length_b [5.1181]
_cell_length_c [5.9103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PaBe2CoO8]
_chemical_formula_sum '[Pa1 Be2 Co1 O8]'
_cell_volume [134.0797]
_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  0.7433  1
  Co  Co2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.1584  0.3168  0.7983  1
  O  O4  2  0.3333  0.6667  0.4668  1
]