data_[Rb1Mg1Fe2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.8203]
_cell_length_b [6.8203]
_cell_length_c [9.8482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [RbMg(FeBr4)2]
_chemical_formula_sum '[Rb1 Mg1 Fe2 Br8]'
_cell_volume [396.7293]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  1  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  2  0.3333  0.6667  0.2646  1.0
  Br  Br3  6  0.0009  0.6813  0.3353  1.0
  Br  Br4  2  0.3333  0.6667  0.0248  1.0
]