data_[Mg1Pa2Os1N6]
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
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.3010]
_cell_length_b [5.3010]
_cell_length_c [5.0027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [MgPa2OsN6]
_chemical_formula_sum '[Mg1 Pa2 Os1 N6]'
_cell_volume [140.5796]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5641  1
  Pa  Pa1  2  0.0000  0.5000  0.9849  1
  Os  Os2  1  0.0000  0.0000  0.5742  1
  N  N3  4  0.2400  0.2400  0.7415  1
  N  N4  1  0.0000  0.0000  0.2218  1
  N  N5  1  0.5000  0.5000  0.1507  1
]