data_[Sr12Mg6Cd6In36]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4193]
_cell_length_b [7.4193]
_cell_length_c [38.7872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2MgCdIn6]
_chemical_formula_sum '[Sr12 Mg6 Cd6 In36]'
_cell_volume [1849.0537]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1065  1
  Sr  Sr1  6  0.0000  0.0000  0.2819  1
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1
  Mg  Mg3  3  0.0000  0.0000  0.0000  1
  Cd  Cd4  6  0.0000  0.0000  0.4268  1
  In  In5  18  0.0557  0.5279  0.3010  1
  In  In6  18  0.0655  0.5327  0.8664  1
]