data_[Pa12Be4Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8679]
_cell_length_b [3.8550]
_cell_length_c [10.6234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pa3BeGe2]
_chemical_formula_sum '[Pa12 Be4 Ge8]'
_cell_volume [486.0342]
_cell_formula_units_Z [4]
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  4  0.0411  0.2500  0.4097  1
  Pa  Pa1  4  0.1180  0.7500  0.9283  1
  Pa  Pa2  4  0.2098  0.2500  0.7453  1
  Be  Be3  4  0.1266  0.2500  0.1357  1
  Ge  Ge4  4  0.0384  0.7500  0.2010  1
  Ge  Ge5  4  0.2068  0.7500  0.5239  1
]