data_[Mg4Pa2Zn12]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9176]
_cell_length_b [7.8827]
_cell_length_c [3.0359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2PaZn6]
_chemical_formula_sum '[Mg4 Pa2 Zn12]'
_cell_volume [326.7457]
_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  0.1478  0.5000  0.6241  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  8  0.1747  0.1779  0.1577  1
  Zn  Zn3  4  0.0000  0.3354  0.0000  1
]