data_[Sr2Cd2In6]
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 [Pmn2_1]
_cell_length_a [6.4467]
_cell_length_b [6.8034]
_cell_length_c [6.7871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SrCdIn3]
_chemical_formula_sum '[Sr2 Cd2 In6]'
_cell_volume [297.6779]
_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  0.7525  0.9781  1
  Cd  Cd1  2  0.0000  0.0966  0.6247  1
  In  In2  4  0.2496  0.2494  0.9728  1
  In  In3  2  0.0000  0.3933  0.3298  1
]