data_[Mg4H16N4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.3567]
_cell_length_b [6.3565]
_cell_length_c [12.7487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [MgH4NCl3]
_chemical_formula_sum '[Mg4 H16 N4 Cl12]'
_cell_volume [596.1676]
_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  2  0.0000  0.0549  1.0000  1
  Mg  Mg1  2  0.4999  0.5300  0.5000  1
  H  H2  2  0.0014  0.5617  0.3347  1
  H  H3  2  0.0595  0.8540  0.7393  1
  H  H4  2  0.0772  0.8451  0.6054  1
  H  H5  2  0.1326  0.3448  0.3368  1
  H  H6  2  0.3646  0.8556  0.1584  1
  H  H7  2  0.4253  0.3544  0.8998  1
  H  H8  2  0.4434  0.3474  0.7659  1
  H  H9  2  0.4974  0.5662  0.8331  1
  N  N10  2  0.0006  0.8999  0.6684  1
  N  N11  2  0.4996  0.9043  0.1648  1
  Cl  Cl12  2  0.0677  0.8038  0.1489  1
  Cl  Cl13  2  0.1908  0.8042  0.8923  1
  Cl  Cl14  2  0.2406  0.7799  0.4639  1
  Cl  Cl15  2  0.2569  0.3029  0.0411  1
  Cl  Cl16  2  0.3172  0.2785  0.6117  1
  Cl  Cl17  2  0.4253  0.2790  0.3523  1
]