data_[Sr12Ca6Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.9370]
_cell_length_b [6.4360]
_cell_length_c [14.0638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr6Ca3Cd]
_chemical_formula_sum '[Sr12 Ca6 Cd2]'
_cell_volume [932.2280]
_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  0.0858  0.7500  0.8514  1
  Sr  Sr1  2  0.1450  0.7500  0.1648  1
  Sr  Sr2  2  0.1458  0.2500  0.6817  1
  Sr  Sr3  2  0.2179  0.7500  0.4893  1
  Sr  Sr4  2  0.3067  0.2500  0.3300  1
  Sr  Sr5  2  0.4672  0.7500  0.0788  1
  Ca  Ca6  2  0.2309  0.2500  0.0238  1
  Ca  Ca7  2  0.4021  0.7500  0.7744  1
  Ca  Ca8  2  0.4728  0.2500  0.6190  1
  Cd  Cd9  2  0.0388  0.2500  0.4103  1
]