data_[Pa3Be51Mo3]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5376]
_cell_length_b [7.5376]
_cell_length_c [10.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PaBe17Mo]
_chemical_formula_sum '[Pa3 Be51 Mo3]'
_cell_volume [539.8689]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6584  1
  Be  Be1  18  0.0057  0.2901  0.0002  1
  Be  Be2  9  0.0012  0.5006  0.5003  1
  Be  Be3  9  0.0042  0.5021  0.1555  1
  Be  Be4  9  0.0053  0.5027  0.8415  1
  Be  Be5  3  0.0000  0.0000  0.1021  1
  Be  Be6  3  0.0000  0.0000  0.9076  1
  Mo  Mo7  3  0.0000  0.0000  0.3385  1
]