data_[Ca2Mg4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0340]
_cell_length_b [4.2394]
_cell_length_c [9.4864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaMg2Cl6]
_chemical_formula_sum '[Ca2 Mg4 Cl12]'
_cell_volume [522.6001]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  4  0.2413  0.5000  0.8179  1.0
  Cl  Cl2  4  0.0926  0.0000  0.2538  1.0
  Cl  Cl3  4  0.1290  0.5000  0.5966  1.0
  Cl  Cl4  4  0.1759  0.0000  0.9018  1.0
]