data_[Sr12Cd6In2]
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 [P2_1/m]
_cell_length_a [10.3182]
_cell_length_b [5.8080]
_cell_length_c [13.0067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr6Cd3In]
_chemical_formula_sum '[Sr12 Cd6 In2]'
_cell_volume [745.4907]
_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  0.1171  0.7500  0.8845  1
  Sr  Sr1  2  0.1321  0.7500  0.1779  1
  Sr  Sr2  2  0.1477  0.2500  0.6652  1
  Sr  Sr3  2  0.2417  0.7500  0.4996  1
  Sr  Sr4  2  0.3688  0.2500  0.3236  1
  Sr  Sr5  2  0.4942  0.7500  0.1040  1
  Cd  Cd6  2  0.2206  0.2500  0.0361  1
  Cd  Cd7  2  0.3641  0.7500  0.7735  1
  Cd  Cd8  2  0.4522  0.2500  0.6092  1
  In  In9  2  0.0616  0.2500  0.3765  1
]