data_[Sr2Mg2Cd2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.6792]
_cell_length_b [6.6792]
_cell_length_c [12.6746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [SrMgCdCl6]
_chemical_formula_sum '[Sr2 Mg2 Cd2 Cl12]'
_cell_volume [489.6839]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  2  0.3333  0.6667  0.2500  1.0
  Cd  Cd2  2  0.3333  0.6667  0.7500  1.0
  Cl  Cl3  12  0.0151  0.3664  0.1349  1.0
]