data_[Sr2Cd6In2]
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 [I4mm]
_cell_length_a [4.7277]
_cell_length_b [4.7277]
_cell_length_c [12.4602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [SrCd3In]
_chemical_formula_sum '[Sr2 Cd6 In2]'
_cell_volume [278.5019]
_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  0.5994  1
  Cd  Cd1  4  0.0000  0.5000  0.3477  1
  Cd  Cd2  2  0.0000  0.0000  0.2117  1
  In  In3  2  0.0000  0.0000  0.9859  1
]