data_[Sr1Ca2Cd1Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7622]
_cell_length_b [8.8242]
_cell_length_c [6.9841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrCa2CdBr8]
_chemical_formula_sum '[Sr1 Ca2 Cd1 Br8]'
_cell_volume [416.7417]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2419  0.5000  1.0
  Cd  Cd2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2270  0.2306  0.1689  1.0
  Br  Br4  2  0.2696  0.0000  0.6752  1.0
  Br  Br5  2  0.2821  0.5000  0.6582  1.0
]