data_[Pa2Cr1Ge1N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.2254]
_cell_length_b [5.2254]
_cell_length_c [4.7024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Pa2CrGeN6]
_chemical_formula_sum '[Pa2 Cr1 Ge1 N6]'
_cell_volume [128.3973]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.9990  1
  Cr  Cr1  1  0.5000  0.5000  0.5790  1
  Ge  Ge2  1  0.0000  0.0000  0.5756  1
  N  N3  4  0.2520  0.2520  0.7248  1
  N  N4  1  0.0000  0.0000  0.1870  1
  N  N5  1  0.5000  0.5000  0.2079  1
]