data_[Pa1Co1B2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7908]
_cell_length_b [4.7908]
_cell_length_c [6.2457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PaCo(BO4)2]
_chemical_formula_sum '[Pa1 Co1 B2 O8]'
_cell_volume [124.1437]
_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
  Co  Co1  1  0.0000  0.0000  0.0000  1
  B  B2  2  0.3333  0.6667  0.7343  1
  O  O3  6  0.1658  0.3316  0.7991  1
  O  O4  2  0.3333  0.6667  0.5006  1
]