data_[Pa4Ni2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8623]
_cell_length_b [3.7793]
_cell_length_c [8.0143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pa2NiGe]
_chemical_formula_sum '[Pa4 Ni2 Ge2]'
_cell_volume [166.6080]
_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  2  0.2362  0.7500  0.4449  1
  Pa  Pa1  2  0.3235  0.2500  0.1043  1
  Ni  Ni2  2  0.3360  0.2500  0.7123  1
  Ge  Ge3  2  0.1246  0.7500  0.8002  1
]