data_[Sr2Cd6]
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
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.9359]
_cell_length_b [4.7748]
_cell_length_c [7.8360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SrCd3]
_chemical_formula_sum '[Sr2 Cd6]'
_cell_volume [222.0933]
_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  0.2500  0.0000  0.3218  1
  Cd  Cd1  2  0.0000  0.5000  0.0000  1
  Cd  Cd2  2  0.2500  0.0000  0.8686  1
  Cd  Cd3  2  0.2500  0.5000  0.6283  1
]