data_[Mg6Pa2]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6388]
_cell_length_b [6.6388]
_cell_length_c [5.1394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Mg3Pa]
_chemical_formula_sum '[Mg6 Pa2]'
_cell_volume [196.1608]
_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  6  0.1636  0.3273  0.2500  1
  Pa  Pa1  2  0.3333  0.6667  0.7500  1
]