data_[Sr12Pa9Ge3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2426]
_cell_length_b [7.2426]
_cell_length_c [17.8022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr4Pa3GeN8]
_chemical_formula_sum '[Sr12 Pa9 Ge3 N24]'
_cell_volume [808.7183]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  9  0.0000  0.5000  0.5000  1
  Sr  Sr1  3  -0.0000  -0.0000  0.5000  1
  Pa  Pa2  9  0.0000  0.5000  0.0000  1
  Ge  Ge3  3  -0.0000  -0.0000  0.0000  1
  N  N4  18  0.0305  0.5152  0.2670  1
  N  N5  6  0.0000  0.0000  0.2655  1
]