data_[Mg8Pa6Rh2N16]
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
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0117]
_cell_length_b [6.3790]
_cell_length_c [6.3198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg4Pa3RhN8]
_chemical_formula_sum '[Mg8 Pa6 Rh2 N16]'
_cell_volume [426.5880]
_cell_formula_units_Z [2]
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  0.5000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  Pa  Pa3  4  0.2500  0.2500  0.0000  1
  Pa  Pa4  2  0.0000  0.5000  0.5000  1
  Rh  Rh5  2  0.0000  0.0000  0.5000  1
  N  N6  8  0.0302  0.2423  0.7726  1
  N  N7  4  0.2065  0.5000  0.2065  1
  N  N8  4  0.2274  0.5000  0.7141  1
]