data_[Sr2Cd6In18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9945]
_cell_length_b [15.8574]
_cell_length_c [8.0263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(CdIn3)3]
_chemical_formula_sum '[Sr2 Cd6 In18]'
_cell_volume [714.2279]
_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
  Cd  Cd1  4  0.2500  0.2500  0.0000  1
  Cd  Cd2  2  0.0000  0.0000  0.5000  1
  In  In3  8  0.1099  0.3938  0.2089  1
  In  In4  8  0.1757  0.1785  0.3557  1
  In  In5  2  0.0000  0.5000  0.5000  1
]