data_[Pa4Ti2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.9897]
_cell_length_b [6.9897]
_cell_length_c [4.3673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Pa2TiGe2]
_chemical_formula_sum '[Pa4 Ti2 Ge4]'
_cell_volume [213.3717]
_cell_formula_units_Z [2]
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  0.1759  0.6759  0.5000  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.1315  0.3685  0.0000  1
]