data_[Pa8Ge12Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2223]
_cell_length_b [3.8048]
_cell_length_c [18.3203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pa2Ge3Mo]
_chemical_formula_sum '[Pa8 Ge12 Mo4]'
_cell_volume [503.4241]
_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  0.1628  0.2500  0.0833  1
  Pa  Pa1  4  0.1712  0.2500  0.3040  1
  Ge  Ge2  4  0.0144  0.2500  0.8140  1
  Ge  Ge3  4  0.1451  0.2500  0.6839  1
  Ge  Ge4  4  0.2338  0.7500  0.9611  1
  Mo  Mo5  4  0.0132  0.7500  0.4439  1
]