data_[Ba2Sr4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2720]
_cell_length_b [4.7588]
_cell_length_c [14.5006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(SrCd)2]
_chemical_formula_sum '[Ba2 Sr4 Cd4]'
_cell_volume [428.0236]
_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
[
  Ba  Ba0  2  0.3102  0.7500  0.7608  1.0
  Sr  Sr1  2  0.1506  0.7500  0.1093  1.0
  Sr  Sr2  2  0.2548  0.2500  0.5130  1.0
  Cd  Cd3  2  0.1948  0.7500  0.3435  1.0
  Cd  Cd4  2  0.3731  0.2500  0.9787  1.0
]