data_[Pa4Cr8Si4N4]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3700]
_cell_length_b [10.9577]
_cell_length_c [7.3980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PaCr2SiN]
_chemical_formula_sum '[Pa4 Cr8 Si4 N4]'
_cell_volume [273.1854]
_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  0.4682  0.7500  1
  Cr  Cr1  8  0.0000  0.1726  0.5533  1
  Si  Si2  4  0.0000  0.2551  0.2500  1
  N  N3  4  0.0000  0.0000  0.0000  1
]