data_[Pa8Ga4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3572]
_cell_length_b [14.0788]
_cell_length_c [9.6073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2GaMoN5]
_chemical_formula_sum '[Pa8 Ga4 Mo4 N20]'
_cell_volume [454.0972]
_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  0.0000  0.1286  0.7370  1
  Pa  Pa1  4  0.0000  0.1328  0.2532  1
  Ga  Ga2  4  0.0000  0.4896  0.4851  1
  Mo  Mo3  4  0.0000  0.2393  0.0005  1
  N  N4  4  0.0000  0.0789  0.0136  1
  N  N5  4  0.0000  0.2821  0.6385  1
  N  N6  4  0.0000  0.2885  0.3578  1
  N  N7  4  0.0000  0.3804  0.0598  1
  N  N8  4  0.0000  0.4826  0.7785  1
]