data_[Rb2Mn1Fe1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9497]
_cell_length_b [8.2333]
_cell_length_c [8.3154]
_cell_angle_alpha [65.6688]
_cell_angle_beta [69.3593]
_cell_angle_gamma [68.9062]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2MnFeBr6]
_chemical_formula_sum '[Rb2 Mn1 Fe1 Br6]'
_cell_volume [392.6411]
_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  0.0971  0.0706  0.8146  1.0
  Rb  Rb1  1  0.5883  0.5626  0.3117  1.0
  Mn  Mn2  1  0.7192  0.9682  0.4785  1.0
  Fe  Fe3  1  0.2081  0.2504  0.2080  1.0
  Br  Br4  1  0.0489  0.4353  0.9594  1.0
  Br  Br5  1  0.1098  0.4282  0.4055  1.0
  Br  Br6  1  0.1193  0.9427  0.3280  1.0
  Br  Br7  1  0.5477  0.7177  0.6631  1.0
  Br  Br8  1  0.6027  0.1274  0.1733  1.0
  Br  Br9  1  0.6205  0.1583  0.6732  1.0
]