data_[Rb2Mn4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3018]
_cell_length_b [5.8372]
_cell_length_c [10.3537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb(MnBr3)2]
_chemical_formula_sum '[Rb2 Mn4 Br12]'
_cell_volume [657.5711]
_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  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.1795  0.0000  0.0760  1.0
  Br  Br2  4  0.0202  0.0000  0.1699  1.0
  Br  Br3  4  0.1570  0.5000  0.6704  1.0
  Br  Br4  4  0.1928  0.5000  0.0575  1.0
]