data_[Rb4Sr2Mg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8609]
_cell_length_b [8.0573]
_cell_length_c [13.6759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2SrMgBr6]
_chemical_formula_sum '[Rb4 Sr2 Mg2 Br12]'
_cell_volume [711.7502]
_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
[
  Rb  Rb0  4  0.2323  0.5552  0.7484  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1517  0.7229  0.4599  1.0
  Br  Br4  4  0.2397  0.1942  0.4618  1.0
  Br  Br5  4  0.3102  0.5147  0.2346  1.0
]