data_[Mg4Pa8Cr4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.4867]
_cell_length_b [6.5920]
_cell_length_c [9.2245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MgPa2CrN4]
_chemical_formula_sum '[Mg4 Pa8 Cr4 N16]'
_cell_volume [394.4423]
_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
[
  Mg  Mg0  4  0.2500  0.2500  0.7500  1
  Pa  Pa1  4  0.0000  0.0000  0.5000  1
  Pa  Pa2  4  0.2500  0.2500  0.2500  1
  Cr  Cr3  4  0.0000  0.0000  0.0000  1
  N  N4  8  0.0000  0.0126  0.7612  1
  N  N5  8  0.2235  0.2500  0.9921  1
]