data_[Pa8Mn4Ir4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3089]
_cell_length_b [12.8965]
_cell_length_c [10.0704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2MnIrN5]
_chemical_formula_sum '[Pa8 Mn4 Ir4 N20]'
_cell_volume [429.7414]
_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  0.0991  0.6805  1
  Pa  Pa1  4  0.0000  0.1566  0.3064  1
  Mn  Mn2  4  0.0000  0.2099  0.0212  1
  Ir  Ir3  4  0.0000  0.4722  0.4511  1
  N  N4  4  0.0000  0.0669  0.0691  1
  N  N5  4  0.0000  0.2731  0.6645  1
  N  N6  4  0.0000  0.3238  0.3647  1
  N  N7  4  0.0000  0.3655  0.0018  1
  N  N8  4  0.0000  0.4800  0.7647  1
]