data_[Rb4Mn12Br36]
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 [Cc]
_cell_length_a [21.0838]
_cell_length_b [9.1872]
_cell_length_c [15.2529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.9852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Rb(MnBr3)3]
_chemical_formula_sum '[Rb4 Mn12 Br36]'
_cell_volume [2196.1298]
_cell_formula_units_Z [4]
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  0.2495  0.2860  0.5031  1
  Mn  Mn1  4  0.1061  0.9303  0.1771  1
  Mn  Mn2  4  0.4018  0.4235  0.3447  1
  Mn  Mn3  4  0.4891  0.1168  0.2080  1
  Br  Br4  4  0.0180  0.1425  0.0597  1
  Br  Br5  4  0.0764  0.3318  0.6534  1
  Br  Br6  4  0.0977  0.4413  0.9099  1
  Br  Br7  4  0.1124  0.0256  0.8343  1
  Br  Br8  4  0.1995  0.9292  0.1440  1
  Br  Br9  4  0.2735  0.3733  0.3045  1
  Br  Br10  4  0.3836  0.0088  0.5303  1
  Br  Br11  4  0.3852  0.2338  0.2102  1
  Br  Br12  4  0.4247  0.3457  0.7988  1
]