data_[Mg2Ni2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0545]
_cell_length_b [11.8148]
_cell_length_c [6.0358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgNiCl6]
_chemical_formula_sum '[Mg2 Ni2 Cl12]'
_cell_volume [404.9978]
_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  2  0.0000  0.0000  0.0000  1
  Ni  Ni1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  8  0.2313  0.3650  0.7332  1
  Cl  Cl3  4  0.2255  0.5000  0.2754  1
]