data_[Sr2Cd4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2487]
_cell_length_b [4.4243]
_cell_length_c [11.3001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(CdBr3)2]
_chemical_formula_sum '[Sr2 Cd4 Br12]'
_cell_volume [711.8287]
_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  0.5000  1.0
  Cd  Cd1  4  0.2271  0.5000  0.2218  1.0
  Br  Br2  4  0.0920  0.0000  0.7477  1.0
  Br  Br3  4  0.1391  0.5000  0.4331  1.0
  Br  Br4  4  0.1618  0.0000  0.1149  1.0
]