data_[Rb4Mn4Cu8I24]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7700]
_cell_length_b [13.8806]
_cell_length_c [8.7558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbMn(CuI3)2]
_chemical_formula_sum '[Rb4 Mn4 Cu8 I24]'
_cell_volume [1719.2079]
_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  0.0000  0.1766  0.2500  1.0
  Mn  Mn1  4  0.0000  0.1821  0.7500  1.0
  Cu  Cu2  8  0.1961  0.4455  0.1666  1.0
  I  I3  8  0.1154  0.0639  0.6806  1.0
  I  I4  8  0.1250  0.2709  0.0254  1.0
  I  I5  8  0.1473  0.4364  0.4130  1.0
]